CMAUP Plant Ingredients

37 Known Ingredients in Total

Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.

14 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC91069
Formula: C20H22O6

Common Name	n.a.
IUPAC Name	[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
Canonical SMILES	COc1c(O)ccc(c1CC=C(C)C)OC(=O)c1c(C)cc(cc1O)O
Standard InCHI	InChI=1S/C20H22O6/c1-11(2)5-6-14-17(8-7-15(22)19(14)25-4)26-20(24)18-12(3)9-13(21)10-16(18)23/h5,7-10,21-23H,6H2,1-4H3
Standard InCHIKey	RGGLERSJYRMVRI-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 102227582
Plant-Ingredient Association Reference	Database: UNPD [UNPD219519]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC90150
Formula: C29H50N2O

Common Name	(+)-Pachysamine B
IUPAC Name	N-[(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethylbut-2-enamide
Canonical SMILES	CC(=CC(=O)N([C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)C)C
Standard InCHI	InChI=1S/C29H50N2O/c1-19(2)17-27(32)31(8)22-13-15-28(4)21(18-22)9-10-23-25-12-11-24(20(3)30(6)7)29(25,5)16-14-26(23)28/h17,20-26H,9-16,18H2,1-8H3/t20-,21-,22+,23-,24+,25-,26-,28-,29+/m0/s1
Standard InCHIKey	AMPGFGUJCWGBEW-BXEZMNAOSA-N
Ingredient External Links	PubChem CID: 12313879 ChEMBL ID: CHEMBL464782
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC90150]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Arisaema curvatum	Arisaema	Araceae
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC75810
Formula: C24H41NO

Common Name	(-)-Pachyaximine A
IUPAC Name	(1S)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylethanamine
Canonical SMILES	CO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](N(C)C)C)C)C1)C
Standard InCHI	InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1
Standard InCHIKey	ZTNBSFMIFOLVCM-MCTVSQGJSA-N
Ingredient External Links	PubChem CID: 44358210 ZINC ID: ZINC000013587852 ChEMBL ID: CHEMBL342394
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC75810]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Atropa belladonna	Atropa	Solanaceae
Sarcococca saligna	Sarcococca	Buxaceae
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC65882
Formula: C12H16O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OCc1ccc(c(c1)/C=C/C(O)(C)C)O
Standard InCHI	InChI=1S/C12H16O3/c1-12(2,15)6-5-10-7-9(8-13)3-4-11(10)14/h3-7,13-15H,8H2,1-2H3/b6-5+
Standard InCHIKey	OWGMKPUUVAPERD-AATRIKPKSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD124086]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC49140
Formula: C15H20O3

Common Name	n.a.
IUPAC Name	(3R,3aS,4R,7aS)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione
Canonical SMILES	O=C1C[C@H]2[C@]([C@H]1C)(C)C1=C(C2)C(=O)C([C@@H]1O)(C)C
Standard InCHI	InChI=1S/C15H20O3/c1-7-10(16)6-8-5-9-11(15(7,8)4)13(18)14(2,3)12(9)17/h7-8,13,18H,5-6H2,1-4H3/t7-,8-,13+,15+/m0/s1
Standard InCHIKey	JDNHHSVZZOCUOM-WCBQKTFOSA-N
Ingredient External Links	PubChem CID: 636776
Plant-Ingredient Association Reference	Database: UNPD [UNPD190545]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC475427
Formula: C33H46N2O5

Common Name	(+)-(20S)-2Alpha-Hydroxy-20-(Dimethylamino)-3Beta-Phthalimido-5 Alpha-Pregnan-4Beta-Yl Acetate
IUPAC Name	[(2R,3S,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-3-(1,3-dioxoisoindol-2-yl)-2-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1[C@H]([C@H](O)C[C@]2([C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)N1C(=O)c2c(C1=O)cccc2
Standard InCHI	InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18-,22-,23+,24-,25-,26-,27+,28-,29+,32+,33+/m0/s1
Standard InCHIKey	YUUHBLRWEZLNID-WASWYHNUSA-N
Ingredient External Links	PubChem CID: 44584025 ChEMBL ID: CHEMBL505436
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC475427]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC474006
Formula: C29H46N2O3

Common Name	(+)-(20S)-20-(Dimethylamino)-16Alpha-Hydroxy-3-(3'alpha-Isopropyl)-La Ctam-5Alpha-Pregn-2-En-4-One
IUPAC Name	(3R)-1-[(5R,8R,9S,10R,13S,14S,16S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-16-hydroxy-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
Canonical SMILES	CN([C@H]([C@H]1[C@@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC=C(C2=O)N1C[C@H](C1=O)C(C)C)C)C
Standard InCHI	InChI=1S/C29H46N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h11,16-22,24-25,32H,8-10,12-15H2,1-7H3/t17-,18+,19-,20-,21-,22-,24-,25-,28+,29-/m0/s1
Standard InCHIKey	UOUGFQVCCBWYHB-FDBJBNRWSA-N
Ingredient External Links	PubChem CID: 44584023 ChEMBL ID: CHEMBL458033
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC474006]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC474001
Formula: C29H46N2O2

Common Name	(+)-(20S)-20-(Dimethylamino)-3-(3'alpha-Isopropyl)-Lactam-5Alpha-Pregn-2-En-4-One
IUPAC Name	(3R)-1-[(5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
Canonical SMILES	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC=C(C2=O)N1C[C@H](C1=O)C(C)C)C)C
Standard InCHI	InChI=1S/C29H46N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h13,17-24H,8-12,14-16H2,1-7H3/t18-,19-,20-,21+,22-,23-,24-,28+,29+/m0/s1
Standard InCHIKey	IVYPSBIZZDNZBC-JUFXZFBXSA-N
Ingredient External Links	PubChem CID: 44584022 ChEMBL ID: CHEMBL457817
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC474001]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC473962
Formula: C31H46N2O

Common Name	(+)-Spiropachysine
IUPAC Name	(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2',10,13-trimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-isoindole]-1'-one
Canonical SMILES	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@]1(C2)N(C)C(=O)c2c1cccc2)C)C
Standard InCHI	InChI=1S/C31H46N2O/c1-20(32(4)5)24-13-14-25-22-12-11-21-19-31(27-10-8-7-9-23(27)28(34)33(31)6)18-17-29(21,2)26(22)15-16-30(24,25)3/h7-10,20-22,24-26H,11-19H2,1-6H3/t20-,21-,22-,24+,25-,26-,29-,30+,31+/m0/s1
Standard InCHIKey	SLGWGPQWJRVPAD-PZOAWPBASA-N
Ingredient External Links	PubChem CID: 209254 ChEMBL ID: CHEMBL456512
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC473962]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC473922
Formula: C32H46N2O3

Common Name	(+)-(20S)-3-(Benzoylamino)-20-(Dimethylamino)-5Alpha-Pregn-2-En-4Beta-Yl Acetate
IUPAC Name	[(4R,5R,8S,9S,10R,13S,14S,17S)-3-benzamido-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Canonical SMILES	CC(=O)O[C@H]1C(=CC[C@]2([C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C)N=C(c1ccccc1)O
Standard InCHI	InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27-,29+,31+,32+/m0/s1
Standard InCHIKey	LANJPWZPYVPLQZ-SKMXPDMESA-N
Ingredient External Links	PubChem CID: 44584024 ChEMBL ID: CHEMBL455316
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC473922]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC4574
Formula: C28H44O3

Common Name	Ergosterol Peroxide
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C
Standard InCHI	InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
Standard InCHIKey	VXOZCESVZIRHCJ-KGHQQZOUSA-N
Ingredient External Links	PubChem CID: 5351516 ZINC ID: ZINC000038139718 ChEMBL ID: CHEMBL434750
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC4574]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Garcinia atroviridis	Garcinia	Clusiaceae
Acacia saligna	Acacia	Fabaceae
Gentiana purpurea	Gentiana	Gentianaceae
Rhodiola rosea	Rhodiola	Crassulaceae
Radermachera boniana	Radermachera	Bignoniaceae
Mentha x piperita	Mentha	Lamiaceae
Trema dielsiana	Trema	Cannabaceae
Haloxylon salicornicum	Haloxylon	Chenopodiaceae
Xanthium strumarium	Xanthium	Asteraceae
Putterlickia verrucosa	Putterlickia	Celastraceae
Pisonia aculeata	Pisonia	Nyctaginaceae
Commiphora mukul	Commiphora	Burseraceae
Breynia fruticosa	Breynia	Phyllanthaceae
Gentiana dahurica	Gentiana	Gentianaceae
Sterculia urens	Sterculia	Malvaceae
Cirsium brevistylum	Cirsium	Asteraceae
Vigna mungo	Vigna	Fabaceae
solanum violaceum	Solanum	Solanaceae
Macaranga conifera	Macaranga	Euphorbiaceae
Andrographis paniculata	Andrographis	Acanthaceae
Calypogeia integristipula	Calypogeia	Calypogeiaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Desmodium oxyphyllum	Desmodium	Fabaceae
Vernonia condensata	Vernonia	Asteraceae
Vaccaria hispanica	Vaccaria	Caryophyllaceae
Juniperus occidentalis	Juniperus	Cupressaceae
Tanacetum parthenium	Tanacetum	Asteraceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC44259
Formula: C11H19NO6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OCC(NC1=C(OC)C(=O)C[C@@](C1)(O)CO)CO
Standard InCHI	InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m1/s1
Standard InCHIKey	VVTDHOIRNPCGTH-LLVKDONJSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD97672]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC39603
Formula: C12H10O3

Common Name	n.a.
IUPAC Name	3,6-dihydroxy-2-(3-methylbut-3-en-1-ynyl)benzaldehyde
Canonical SMILES	O=Cc1c(O)ccc(c1C#CC(=C)C)O
Standard InCHI	InChI=1S/C12H10O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-7,14-15H,1H2,2H3
Standard InCHIKey	ZEFPFLXIQAIPNE-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 11593647
Plant-Ingredient Association Reference	Database: UNPD [UNPD113307]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC306921
Formula: C17H18O3

Common Name	n.a.
IUPAC Name	2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
Canonical SMILES	O=Cc1c(C#CC(=C)C)c(O)cc(c1O)CC=C(C)C
Standard InCHI	InChI=1S/C17H18O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h5,9-10,19-20H,3,7H2,1-2,4H3
Standard InCHIKey	OHAIZLWDWYVYPJ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10801986
Plant-Ingredient Association Reference	Database: UNPD [UNPD76951]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC290669
Formula: C17H14O3

Common Name	n.a.
IUPAC Name	2,5-dihydroxy-3,6-bis(3-methylbut-3-en-1-ynyl)benzaldehyde
Canonical SMILES	O=Cc1c(O)c(C#CC(=C)C)cc(c1C#CC(=C)C)O
Standard InCHI	InChI=1S/C17H14O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h9-10,19-20H,1,3H2,2,4H3
Standard InCHIKey	HYBMAHHVQYMCBJ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10901538 ZINC ID: ZINC000014715609
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC287365
Formula: C15H20O5

Common Name	n.a.
IUPAC Name	(3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid
Canonical SMILES	OC1=C(C)[C@@]2([C@@](C1=O)(O)C[C@@H]1[C@H]2C[C@@](C1)(C)C(=O)O)C
Standard InCHI	InChI=1S/C15H20O5/c1-7-10(16)11(17)15(20)5-8-4-13(2,12(18)19)6-9(8)14(7,15)3/h8-9,16,20H,4-6H2,1-3H3,(H,18,19)/t8-,9-,13+,14+,15-/m1/s1
Standard InCHIKey	WWSCHJNVBFNZCH-FWYKCERLSA-N
Ingredient External Links	PubChem CID: 102227583
Plant-Ingredient Association Reference	Database: UNPD [UNPD223772]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC281758
Formula: C16H22O5

Common Name	n.a.
IUPAC Name	methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate
Canonical SMILES	COC(=O)[C@@]1(C)C[C@H]2[C@@H](C1)[C@]1([C@](C2)(O)C(=O)C(=C1C)O)C
Standard InCHI	InChI=1S/C16H22O5/c1-8-11(17)12(18)16(20)6-9-5-14(2,13(19)21-4)7-10(9)15(8,16)3/h9-10,17,20H,5-7H2,1-4H3/t9-,10-,14+,15+,16-/m1/s1
Standard InCHIKey	BZEAXBLCXACAHJ-OLGBICLBSA-N
Ingredient External Links	PubChem CID: 102227585
Plant-Ingredient Association Reference	Database: UNPD [UNPD225911]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC276822
Formula: C18H18N2O7S2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1CC(=O)[C@H]2[C@@H]([C@H]1O)N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O
Standard InCHI	InChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17-,18-/m1/s1
Standard InCHIKey	NCDIBOQDVNONGL-HISJFFBUSA-N
Ingredient External Links	PubChem CID: 10410865 ChEMBL ID: CHEMBL3102874
Plant-Ingredient Association Reference	Database: UNPD [UNPD83858] Database: NPASS [NPC276822]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC273483
Formula: C21H24O7

Common Name	n.a.
IUPAC Name	[3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
Canonical SMILES	OCc1c(CO)cc(c(c1O)CC=C(C)C)OC(=O)c1c(C)cc(cc1O)O
Standard InCHI	InChI=1S/C21H24O7/c1-11(2)4-5-15-18(7-13(9-22)16(10-23)20(15)26)28-21(27)19-12(3)6-14(24)8-17(19)25/h4,6-8,22-26H,5,9-10H2,1-3H3
Standard InCHIKey	WTZUCTQSBSDSRG-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 100450
Plant-Ingredient Association Reference	Database: UNPD [UNPD172572] Database: NPASS [NPC273483]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Allium cepa	Allium	Amaryllidaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC270511
Formula: C28H42O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1(C2=CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C
Standard InCHI	InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1
Standard InCHIKey	FWPYIYVSYQRISA-LEOBWYFPSA-N
Ingredient External Links	PubChem CID: 11112737 ZINC ID: ZINC000044308050
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC270511]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Haloxylon salicornicum	Haloxylon	Chenopodiaceae
solanum violaceum	Solanum	Solanaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC262880
Formula: C18H16N2O6S2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1C=CC(=O)[C@H]2[C@@H]1N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O
Standard InCHI	InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8+,11-,12-,13-,14-,17+,18+/m0/s1
Standard InCHIKey	RCODXLGTKJXDNC-ODWYQEHYSA-N
Ingredient External Links	PubChem CID: 73891006 ChEMBL ID: CHEMBL3104418
Plant-Ingredient Association Reference	Database: UNPD [UNPD11193] Database: NPASS [NPC262880]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC251884
Formula: C11H19NO6

Common Name	Mycosporine Serinol
IUPAC Name	(5S)-3-(1,3-dihydroxypropan-2-ylamino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Canonical SMILES	OCC(NC1=C(OC)C(=O)C[C@](C1)(O)CO)CO
Standard InCHI	InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1
Standard InCHIKey	VVTDHOIRNPCGTH-NSHDSACASA-N
Ingredient External Links	PubChem CID: 442866 ChEMBL ID: CHEMBL1210424
Plant-Ingredient Association Reference	Database: UNPD [UNPD4899] Database: NPASS [NPC251884]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC247902
Formula: C18H16N2O6S2

Common Name	Epicorazine A
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1C=CC(=O)[C@@H]2[C@@H]1N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O
Standard InCHI	InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8-,11+,12+,13+,14+,17-,18-/m1/s1
Standard InCHIKey	RCODXLGTKJXDNC-UORGKRBOSA-N
Ingredient External Links	PubChem CID: 57383998 ChEMBL ID: CHEMBL2024572
Plant-Ingredient Association Reference	Database: UNPD [UNPD10252] Database: NPASS [NPC247902]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC227848
Formula: C15H20O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1[C@H]2O[C@]32[C@](C1=C)(C)[C@H]1[C@@H](C3)C[C@](C1)(C)C(=O)O
Standard InCHI	InChI=1S/C15H20O4/c1-7-10(16)11-15(19-11)5-8-4-13(2,12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1
Standard InCHIKey	IZLOHISHEUGGDJ-BLYYJXBTSA-N
Ingredient External Links	PubChem CID: 442376
Plant-Ingredient Association Reference	Database: UNPD [UNPD159667]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC222749
Formula: C15H20O4

Common Name	n.a.
IUPAC Name	(3aS,3bR,5S,6aS,7aR)-2-hydroxy-3,3a,5-trimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carboxylic acid
Canonical SMILES	O=C1C(=C([C@@]2([C@H]1C[C@@H]1[C@H]2C[C@@](C1)(C)C(=O)O)C)C)O
Standard InCHI	InChI=1S/C15H20O4/c1-7-11(16)12(17)9-4-8-5-14(2,13(18)19)6-10(8)15(7,9)3/h8-10,16H,4-6H2,1-3H3,(H,18,19)/t8-,9-,10+,14-,15+/m0/s1
Standard InCHIKey	BXFARSQJYWGLAG-UZGCMYEVSA-N
Ingredient External Links	PubChem CID: 102227584
Plant-Ingredient Association Reference	Database: UNPD [UNPD227968]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC212596
Formula: C29H46O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]32OO[C@]2([C@]1(C)CC[C@@H](C2)O)C=C3)C
Standard InCHI	InChI=1S/C29H46O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,16-17,19-25,30H,7,10-15,18H2,1-6H3/b9-8+/t20-,21+,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1
Standard InCHIKey	JCLCRSATHUBFEO-LAWYILJMSA-N
Ingredient External Links	PubChem CID: 15454715
Plant-Ingredient Association Reference	Database: UNPD [UNPD5009] Database: NPASS [NPC212596]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC199156
Formula: C12H12O3

Common Name	n.a.
IUPAC Name	2-(hydroxymethyl)-3-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol
Canonical SMILES	OCc1c(O)ccc(c1C#CC(=C)C)O
Standard InCHI	InChI=1S/C12H12O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-6,13-15H,1,7H2,2H3
Standard InCHIKey	PWAULXVZWSFORA-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 11521285
Plant-Ingredient Association Reference	Database: UNPD [UNPD28931]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC191515
Formula: C18H20N2O6S2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O[C@@H]1CCC(=O)[C@@H]2[C@@H]1N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)CC[C@@H]1O
Standard InCHI	InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11-,12+,13+,14+,17-,18-/m1/s1
Standard InCHIKey	ICKHXBRXCAORGF-IMRAWGHTSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD146943]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC1801
Formula: C19H20O5

Common Name	n.a.
IUPAC Name	[4-hydroxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
Canonical SMILES	CC(=CCc1cc(O)ccc1OC(=O)c1c(C)cc(cc1O)O)C
Standard InCHI	InChI=1S/C19H20O5/c1-11(2)4-5-13-9-14(20)6-7-17(13)24-19(23)18-12(3)8-15(21)10-16(18)22/h4,6-10,20-22H,5H2,1-3H3
Standard InCHIKey	MKTUMKHNZXWOIQ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 102227581
Plant-Ingredient Association Reference	Database: UNPD [UNPD221644]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC156599
Formula: C17H16O3

Common Name	n.a.
IUPAC Name	3-(hydroxymethyl)-2,5-bis(3-methylbut-3-en-1-ynyl)benzene-1,4-diol
Canonical SMILES	OCc1c(O)c(C#CC(=C)C)cc(c1C#CC(=C)C)O
Standard InCHI	InChI=1S/C17H16O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h9,18-20H,1,3,10H2,2,4H3
Standard InCHIKey	BRMAAADEEFMXPX-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 11000049 ZINC ID: ZINC000014715611
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC153007
Formula: C30H42N2O2

Common Name	(+)-Axillaridine A
IUPAC Name	N-[(5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]benzamide
Canonical SMILES	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC=C(C2=O)N=C(c1ccccc1)O)C)C
Standard InCHI	InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1
Standard InCHIKey	ZMAOKPMWBVUQPK-IWDJEAQTSA-N
Ingredient External Links	PubChem CID: 3004425 ChEMBL ID: CHEMBL335133
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC153007]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Arisaema curvatum	Arisaema	Araceae
Sarcococca saligna	Sarcococca	Buxaceae
Pachysandra procumbens	Pachysandra	Buxaceae

Ingredient ID: NPC14380
Formula: C27H40O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(C/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]32OO[C@]2([C@]1(C)CC[C@@H](C2)O)C=C3)C)C
Standard InCHI	InChI=1S/C27H40O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h6,8,12,15-16,18-22,28H,7,9-11,13-14,17H2,1-5H3/b8-6+/t19-,20+,21-,22-,24-,25-,26-,27+/m1/s1
Standard InCHIKey	CAUMZAZCOGASOU-LRCFNPBWSA-N
Ingredient External Links	PubChem CID: 15454717
Plant-Ingredient Association Reference	Database: UNPD [UNPD124173] Database: NPASS [NPC14380]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC134063
Formula: C13H14O3

Common Name	n.a.
IUPAC Name	3-(hydroxymethyl)-4-methoxy-2-(3-methylbut-3-en-1-ynyl)phenol
Canonical SMILES	OCc1c(OC)ccc(c1C#CC(=C)C)O
Standard InCHI	InChI=1S/C13H14O3/c1-9(2)4-5-10-11(8-14)13(16-3)7-6-12(10)15/h6-7,14-15H,1,8H2,2-3H3
Standard InCHIKey	GNRILTNARVCLOD-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10513000 ZINC ID: ZINC000015218707
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC125645
Formula: C16H20O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)Oc1ccc2c(c1)C=CC(O2)(C)C
Standard InCHI	InChI=1S/C16H20O6/c1-16(2)6-5-9-7-10(3-4-11(9)22-16)20-15-14(19)13(18)12(8-17)21-15/h3-7,12-15,17-19H,8H2,1-2H3/t12-,13-,14+,15+/m1/s1
Standard InCHIKey	VWBXKUAVNIEMKH-KBXIAJHMSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD162771]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC119564
Formula: C15H22O3

Common Name	n.a.
IUPAC Name	(3R,3aR,3bR,4R,6aR)-4,6a-dihydroxy-3,3a,5,5-tetramethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one
Canonical SMILES	O=C1C=C2[C@]([C@H]1C)(C)[C@H]1[C@](C2)(O)CC([C@@H]1O)(C)C
Standard InCHI	InChI=1S/C15H22O3/c1-8-10(16)5-9-6-15(18)7-13(2,3)12(17)11(15)14(8,9)4/h5,8,11-12,17-18H,6-7H2,1-4H3/t8-,11-,12+,14+,15+/m0/s1
Standard InCHIKey	SWEMDFMQXLKKFA-CARMDJQYSA-N
Ingredient External Links	PubChem CID: 11021310
Plant-Ingredient Association Reference	Database: UNPD [UNPD3923]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC109358
Formula: C15H22O3

Common Name	n.a.
IUPAC Name	(3R,3aR,3bS,5S,6aR)-6a-hydroxy-5-(hydroxymethyl)-3,3a,5-trimethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one
Canonical SMILES	OC[C@@]1(C)C[C@@H]2[C@@](C1)(O)CC1=CC(=O)[C@@H]([C@@]21C)C
Standard InCHI	InChI=1S/C15H22O3/c1-9-11(17)4-10-5-15(18)7-13(2,8-16)6-12(15)14(9,10)3/h4,9,12,16,18H,5-8H2,1-3H3/t9-,12-,13-,14+,15+/m0/s1
Standard InCHIKey	DNUNLBFMRIHNOC-JLGPQHSXSA-N
Ingredient External Links	PubChem CID: 21672080
Plant-Ingredient Association Reference	Database: UNPD [UNPD149422]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trema dielsiana	Trema	Cannabaceae
Pachysandra procumbens	Pachysandra	Buxaceae
Eucalyptus maideni	Eucalyptus	Myrtaceae

Ingredient ID: NPC109151
Formula: C30H46N2O

Common Name	Epipachysamine D
IUPAC Name	N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
Canonical SMILES	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)N=C(c1ccccc1)O)C)C
Standard InCHI	InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1
Standard InCHIKey	SFKPSOAYNYYOLN-IBWRYCSWSA-N
Ingredient External Links	PubChem CID: 10433924 ChEMBL ID: CHEMBL136933
Plant-Ingredient Association Reference	PMID: 9784163 Database: NPASS [NPC109151]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Sarcococca saligna	Sarcococca	Buxaceae
Pachysandra procumbens	Pachysandra	Buxaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC109151	C30H46N2O	Epipachysamine D	450.36	0.9025	4.43	10.407	3	1	35.83	10	5	33	1
NPC109358	C15H22O3	(3R,3aR,3bS,5S,6aR)-6a-hydroxy-5-(hydroxymethyl)-3,3a,5-trimethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one	250.1568946	0.4763	2.78	0.261	3	2	57.53	1	3	18	0
NPC119564	C15H22O3	(3R,3aR,3bR,4R,6aR)-4,6a-dihydroxy-3,3a,5,5-tetramethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one	250.1568946	0.7351	2.78	0.363	3	2	57.53	0	3	18	0
NPC125645	C16H20O6		308.1259884	-0.7887	2.56	1.405	4	3	88.38	3	3	22	0
NPC134063	C13H14O3	3-(hydroxymethyl)-4-methoxy-2-(3-methylbut-3-en-1-ynyl)phenol	218.0942943	0.7835	2.56	1.983	1	2	49.69	2	1	16	0
NPC14380	C27H40O3		412.2977451	3.0672	4.1	6.98	3	1	38.69	10	3	30	1
NPC153007	C30H42N2O2	(+)-Axillaridine A	462.32	1.2748	4.32	8.646	4	1	52.9	10	5	34	1
NPC156599	C17H16O3	3-(hydroxymethyl)-2,5-bis(3-methylbut-3-en-1-ynyl)benzene-1,4-diol	268.1099444	2.1193	3	3.507	1	3	60.69	1	1	20	0
NPC1801	C19H20O5	[4-hydroxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate	328.1310737	1.0474	3	4.573	1	3	86.99	5	2	24	0
NPC191515	C18H20N2O6S2		424.0762784	-1.9828	2.34	-3.16	8	2	165.82	0	4	28	0
NPC199156	C12H12O3	2-(hydroxymethyl)-3-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol	204.0786442	0.375	2.45	1.893	1	3	60.69	1	1	15	0
NPC212596	C29H46O3		442.3446953	2.1523	4.32	8.952	3	1	38.69	12	3	32	1
NPC222749	C15H20O4	(3aS,3bR,5S,6aS,7aR)-2-hydroxy-3,3a,5-trimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carboxylic acid	264.1361591	0.6116	2.67	1.739	4	2	74.6	1	3	19	0
NPC227848	C15H20O4		264.1361591	0.1808	2.67	0.158	4	2	70.06	1	4	19	0
NPC247902	C18H16N2O6S2	Epicorazine A	420.04	-0.7542	2.34	-2.856	8	2	165.82	2	4	28	0
NPC251884	C11H19NO6	Mycosporine Serinol	261.12	-3.2063	1.9	-2.653	7	5	119.25	11	1	18	0
NPC262880	C18H16N2O6S2		420.04	-0.7542	2.34	-2.856	8	2	165.82	2	4	28	0
NPC270511	C28H42O3		426.3133952	3.1382	4.21	7.484	3	1	38.69	11	3	31	1
NPC273483	C21H24O7		388.1522031	0.15	3	2.962	3	5	127.45	15	2	28	0
NPC276822	C18H18N2O7S2		438.06	-1.5912	2.23	-3.609	9	3	186.05	3	4	29	0
NPC281758	C16H22O5	methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate	294.1467238	0.2621	2.67	0.909	5	2	83.83	2	3	21	0
NPC287365	C15H20O5	(3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid	280.1310737	0.0111	2.56	0.588	5	3	94.83	1	3	20	0
NPC290669	C17H14O3	2,5-dihydroxy-3,6-bis(3-methylbut-3-en-1-ynyl)benzaldehyde	266.0942943	2.3756	3	4.178	1	2	57.53	1	1	20	0
NPC306921	C17H18O3	2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-(3-methylbut-3-en-1-ynyl)benzaldehyde	270.1255944	2.5087	3	4.034	1	2	57.53	3	1	20	0
NPC39603	C12H10O3	3,6-dihydroxy-2-(3-methylbut-3-en-1-ynyl)benzaldehyde	202.0629942	0.6313	2.45	2.564	1	2	57.53	1	1	15	0
NPC44259	C11H19NO6		261.1212373	-3.2063	1.9	-2.653	7	5	119.25	6	1	18	0
NPC4574	C28H44O3	Ergosterol Peroxide	428.33	2.8285	4.21	8.383	3	1	38.69	11	3	31	1
NPC473922	C32H46N2O3	(+)-(20S)-3-(Benzoylamino)-20-(Dimethylamino)-5Alpha-Pregn-2-En-4Beta-Yl Acetate	506.35	1.2456	4.43	9.333	5	1	62.13	13	5	37	1
NPC473962	C31H46N2O	(+)-Spiropachysine	462.36	0.6796	4.54	9.327	3	0	23.55	8	6	34	1
NPC474001	C29H46N2O2	(+)-(20S)-20-(Dimethylamino)-3-(3'alpha-Isopropyl)-Lactam-5Alpha-Pregn-2-En-4-One	454.36	1.1614	4.21	6.73	4	0	40.62	11	5	33	1
NPC474006	C29H46N2O3	(+)-(20S)-20-(Dimethylamino)-16Alpha-Hydroxy-3-(3'alpha-Isopropyl)-La Ctam-5Alpha-Pregn-2-En-4-One	470.35	0.3951	4.1	5.278	5	1	60.85	12	5	34	1
NPC475427	C33H46N2O5	(+)-(20S)-2Alpha-Hydroxy-20-(Dimethylamino)-3Beta-Phthalimido-5 Alpha-Pregnan-4Beta-Yl Acetate	550.34	-0.272	4.32	7.299	7	1	87.15	12	6	40	1
NPC49140	C15H20O3	(3R,3aS,4R,7aS)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione	248.1412445	0.5694	2.78	-0.319	3	1	54.37	0	3	18	0
NPC65882	C12H16O3		208.1099444	-0.3074	2.45	1.195	2	3	60.69	3	1	15	0
NPC75810	C24H41NO	(-)-Pachyaximine A	359.32	0.9807	3.88	6.222	2	0	12.47	9	4	26	1
NPC90150	C29H50N2O	(+)-Pachysamine B	442.39	2.0132	4.32	8.197	3	0	23.55	13	4	32	1
NPC91069	C20H22O6	[4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate	358.1416384	0.9956	3	4.129	1	3	96.22	6	2	26	0

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1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties