CMAUP Plant Ingredients

18 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.

8 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC99441
Formula: C10H10O5

Common Name	Methyl Haematommate
IUPAC Name	methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Canonical SMILES	COC(=O)c1c(C)cc(c(c1O)C=O)O
Standard InCHI	InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3
Standard InCHIKey	PXFMUVDLJWXOQM-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 591773 ChEMBL ID: CHEMBL470649
Plant-Ingredient Association Reference	Database: UNPD [UNPD91248] Database: NPASS [NPC99441]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pilosella officinarum	Pilosella	Asteraceae
Solanum coccineum	Solanum	Solanaceae
Coffea pseudozanguebariae	Coffea	Rubiaceae
Fleischmannia hymenophylla	Fleischmannia	Asteraceae
Astragalus pectinatus	Astragalus	Fabaceae
Roystonea regia	Roystonea	Arecaceae
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC89669
Formula: C29H36O17

Common Name	n.a.
IUPAC Name	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](OCC(c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Standard InCHI	InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18?,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
Standard InCHIKey	IKASMYQBXBUEQS-BPYXVNRNSA-N
Ingredient External Links	PubChem CID: 6325338
Plant-Ingredient Association Reference	Database: TCMID [9330]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Caltha palustris	Caltha	Ranunculaceae
Helleborus niger	Helleborus	Ranunculaceae
Plantago asiatica	Plantago	Plantaginaceae

Ingredient ID: NPC82920
Formula: C18H16O7

Common Name	(+)-Usnic Acid
IUPAC Name	(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one
Canonical SMILES	CC(=O)C1=C(O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O
Standard InCHI	InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1
Standard InCHIKey	WEYVVCKOOFYHRW-SFHVURJKSA-N
Ingredient External Links	PubChem CID: 478125 ChEMBL ID: CHEMBL367881
Plant-Ingredient Association Reference	Database: UNPD [UNPD168432] Database: NPASS [NPC82920]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Allium cepa	Allium	Amaryllidaceae
Helleborus niger	Helleborus	Ranunculaceae
Euonymus alatus	Euonymus	Celastraceae

Ingredient ID: NPC62587
Formula: C26H32O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCCCCc1c(Oc2cc(OC)cc3c2C(=O)O[C@]3(OC)CCCC)c(O)cc(c1C(=O)O)O
Standard InCHI	InChI=1S/C26H32O9/c1-5-7-9-10-16-21(24(29)30)18(27)14-19(28)23(16)34-20-13-15(32-3)12-17-22(20)25(31)35-26(17,33-4)11-8-6-2/h12-14,27-28H,5-11H2,1-4H3,(H,29,30)/t26-/m1/s1
Standard InCHIKey	RVLAGCKOEKBSNY-AREMUKBSSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD127600]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC300984
Formula: C25H28O8

Common Name	Lobaric Acid
IUPAC Name	3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Canonical SMILES	CCCCCc1c2Oc3cc(OC)cc(c3C(=O)Oc2cc(c1C(=O)O)O)C(=O)CCCC
Standard InCHI	InChI=1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
Standard InCHIKey	JHEWMLHQNRHTQX-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 73157 ZINC ID: ZINC000002139624 ChEMBL ID: CHEMBL551842
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC300984]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC292213
Formula: C23H23NO10

Common Name	Usimine C
IUPAC Name	n.a.
Canonical SMILES	OC(=O)CC[C@@H](C(=O)O)/N=C(C1=C(O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C
Standard InCHI	InChI=1S/C23H23NO10/c1-8-18(29)16(10(3)25)20-17(19(8)30)23(4)13(34-20)7-12(26)15(21(23)31)9(2)24-11(22(32)33)5-6-14(27)28/h7,11,26,29-30H,5-6H2,1-4H3,(H,27,28)(H,32,33)/b24-9-/t11-,23-/m0/s1
Standard InCHIKey	WFFMTGCIAAQCKO-VSZRXASPSA-N
Ingredient External Links	PubChem CID: NA ChEMBL ID: CHEMBL457491
Plant-Ingredient Association Reference	Database: UNPD [UNPD155916] Database: NPASS [NPC292213]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC263185
Formula: C29H36N2O5

Common Name	n.a.
IUPAC Name	(3S,6S,9R,11S,12S)-3,6-dibenzyl-4,9,11-trimethyl-12-propyl-1-oxa-4,7-diazacyclododecane-2,5,8,10-tetrone
Canonical SMILES	CCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](N=C([C@@H](C(=O)[C@H]1C)C)O)Cc1ccccc1
Standard InCHI	InChI=1S/C29H36N2O5/c1-5-12-25-19(2)26(32)20(3)27(33)30-23(17-21-13-8-6-9-14-21)28(34)31(4)24(29(35)36-25)18-22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25H,5,12,17-18H2,1-4H3,(H,30,33)/t19-,20+,23-,24-,25-/m0/s1
Standard InCHIKey	PKKZNSZCFXCHRE-TYCVKICSSA-N
Ingredient External Links	PubChem CID: 24777590
Plant-Ingredient Association Reference	Database: UNPD [UNPD27016]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC254273
Formula: C26H34O7

Common Name	n.a.
IUPAC Name	[10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES	O=CC12CCC(CC2(O)CCC2C1CCC1(C2(O)CCC1c1ccc(=O)oc1)C)OC(=O)C
Standard InCHI	InChI=1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3
Standard InCHIKey	VIOBLZMEZRNYRR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 632395
Plant-Ingredient Association Reference	Database: TCMID [9328]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC230818
Formula: C10H12O4

Common Name	n.a.
IUPAC Name	1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)ethanone
Canonical SMILES	COc1cc(O)c(c(c1C)O)C(=O)C
Standard InCHI	InChI=1S/C10H12O4/c1-5-8(14-3)4-7(12)9(6(2)11)10(5)13/h4,12-13H,1-3H3
Standard InCHIKey	LWIPTFGZKUVFKC-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 14602300
Plant-Ingredient Association Reference	Database: UNPD [UNPD48107] Database: NPASS [NPC230818]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Triaenophora rupestris	Triaenophora	Orobanchaceae
Larix cajanderi	Larix	Pinaceae
Sextonia rubra	Sextonia	Lauraceae
Dioscorea japonica	Dioscorea	Dioscoreaceae
Cedrus libani	Cedrus	Pinaceae
Justicia paniculata	Justicia	Acanthaceae
Khaya ivorensis	Khaya	Meliaceae
Craspidospermum verticillatum	Craspidospermum	Apocynaceae
Cerinthe minor	Cerinthe	Boraginaceae
Ixeris stolonifera	Ixeris	Asteraceae
Cephalaria grossheimii	Cephalaria	Caprifoliaceae
Lotus japonicus	Lotus	Fabaceae
Melaleuca rhaphiophylla	Melaleuca	Myrtaceae
Senecio renardii	Senecio	Asteraceae
Hypericum ascyron	Hypericum	Hypericaceae
Aristolochia zollingeriana	Aristolochia	Aristolochiaceae
Bartramia pomiformis	Bartramia	Bartramiaceae
Ehretia dicksonii	Ehretia	Ehretiaceae
Senna siamea	Senna	Fabaceae
Virola multinervia	Virola	Myristicaceae
Helleborus niger	Helleborus	Ranunculaceae
Balanophora involucrata	Balanophora	Balanophoraceae
Lupinus verbasciformis	Lupinus	Fabaceae
Aframomum amaniense	Aframomum	Zingiberaceae
Khaya senegalensis	Khaya	Meliaceae
Nama hispidum	Nama	Namaceae
Beilschmiedia anacardioides	Beilschmiedia	Lauraceae

Ingredient ID: NPC221792
Formula: C24H25NO10

Common Name	Usimine A
IUPAC Name	n.a.
Canonical SMILES	COC(=O)CC[C@@H](C(=O)O)/N=C(/C1=C(O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
Standard InCHI	InChI=1S/C24H25NO10/c1-9-19(29)17(11(3)26)21-18(20(9)30)24(4)14(35-21)8-13(27)16(22(24)31)10(2)25-12(23(32)33)6-7-15(28)34-5/h8,12,27,29-30H,6-7H2,1-5H3,(H,32,33)/b25-10+/t12-,24-/m0/s1
Standard InCHIKey	SCYWZWOOQQSOPH-KMGGXTPGSA-N
Ingredient External Links	PubChem CID: NA ChEMBL ID: CHEMBL514108
Plant-Ingredient Association Reference	Database: UNPD [UNPD71070] Database: NPASS [NPC221792]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC189823
Formula: C9H10O4

Common Name	Methyl Orsellinate
IUPAC Name	methyl 2,4-dihydroxy-6-methylbenzoate
Canonical SMILES	COC(=O)c1c(C)cc(cc1O)O
Standard InCHI	InChI=1S/C9H10O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4,10-11H,1-2H3
Standard InCHIKey	NCCWCZLEACWJIN-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 76658 ZINC ID: ZINC000000391406 ChEMBL ID: CHEMBL454431
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC189823]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pilosella officinarum	Pilosella	Asteraceae
Solanum coccineum	Solanum	Solanaceae
Rhododendron ferrugineum	Rhododendron	Ericaceae
Coffea pseudozanguebariae	Coffea	Rubiaceae
Fleischmannia hymenophylla	Fleischmannia	Asteraceae
Astragalus pectinatus	Astragalus	Fabaceae
Roystonea regia	Roystonea	Arecaceae
Rhodiola crenulata	Rhodiola	Crassulaceae
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC179202
Formula: C21H18O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCOc1c(C)c2OC(=O)c3c(Oc2c2c1C(=O)O[C@H]2O)c(C=O)c(cc3C)OC
Standard InCHI	InChI=1S/C21H18O9/c1-5-27-15-9(3)16-18(14-13(15)20(24)30-21(14)25)28-17-10(7-22)11(26-4)6-8(2)12(17)19(23)29-16/h6-7,21,25H,5H2,1-4H3/t21-/m1/s1
Standard InCHIKey	ZSLUWCMFLDGBIM-OAQYLSRUSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD124577]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC17025
Formula: C25H32O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCCCCc1cc(O)cc(c1Oc1cc(OC)cc2c1C(=O)O[C@]2(OC)CCCC)O
Standard InCHI	InChI=1S/C25H32O7/c1-5-7-9-10-16-12-17(26)13-20(27)23(16)31-21-15-18(29-3)14-19-22(21)24(28)32-25(19,30-4)11-8-6-2/h12-15,26-27H,5-11H2,1-4H3/t25-/m1/s1
Standard InCHIKey	SIFVKFNQJLVAOD-RUZDIDTESA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD46576]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC159371
Formula: C19H14O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(C)c2c(c1C=O)Oc1c(OC2=O)c(C)c(c2c1[C@@H](O)OC2=O)O
Standard InCHI	InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3/t19-/m0/s1
Standard InCHIKey	SKCUFZLDTAYNBZ-IBGZPJMESA-N
Ingredient External Links	PubChem CID: 1711964 ZINC ID: ZINC000002004083
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ocimum gratissimum	Ocimum	Lamiaceae
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC158481
Formula: C10H12O4

Common Name	n.a.
IUPAC Name	methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Canonical SMILES	COC(=O)c1c(C)cc(c(c1O)C)O
Standard InCHI	InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
Standard InCHIKey	UUQHKWMIDYRWHH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 78435 ZINC ID: ZINC000000239015
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC158481]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Rhodiola crenulata	Rhodiola	Crassulaceae
Putterlickia verrucosa	Putterlickia	Celastraceae
Helleborus niger	Helleborus	Ranunculaceae
Gentiana dahurica	Gentiana	Gentianaceae
Cirsium brevistylum	Cirsium	Asteraceae
Calypogeia integristipula	Calypogeia	Calypogeiaceae
Desmodium oxyphyllum	Desmodium	Fabaceae
Vernonia condensata	Vernonia	Asteraceae

Ingredient ID: NPC150817
Formula: C36H52O15

Common Name	n.a.
IUPAC Name	(3S,5S,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CCC2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22?,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1
Standard InCHIKey	DCSLTSSPIJWEJN-UVOXVOIDSA-N
Ingredient External Links	PubChem CID: 10439890
Plant-Ingredient Association Reference	Database: TCMID [9329]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Caltha palustris	Caltha	Ranunculaceae
Helleborus niger	Helleborus	Ranunculaceae

Ingredient ID: NPC149618
Formula: C19H18O8

Common Name	Atranorin
IUPAC Name	(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate
Canonical SMILES	COC(=O)c1c(C)cc(c(c1O)C)OC(=O)c1c(C)cc(c(c1O)C=O)O
Standard InCHI	InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
Standard InCHIKey	YLOYKYXNDHOHHT-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 68066 ZINC ID: ZINC000000608186 ChEMBL ID: CHEMBL173395
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC149618]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Garcinia atroviridis	Garcinia	Clusiaceae
Acacia saligna	Acacia	Fabaceae
Pilosella officinarum	Pilosella	Asteraceae
Gentiana purpurea	Gentiana	Gentianaceae
Solanum coccineum	Solanum	Solanaceae
Ajuga decumbens	Ajuga	Lamiaceae
Coffea pseudozanguebariae	Coffea	Rubiaceae
Fleischmannia hymenophylla	Fleischmannia	Asteraceae
Astragalus pectinatus	Astragalus	Fabaceae
Roystonea regia	Roystonea	Arecaceae
Cinchona calisaya	Cinchona	Rubiaceae
Helleborus niger	Helleborus	Ranunculaceae
Sterculia urens	Sterculia	Malvaceae
Stellera chamaejasme	Stellera	Thymelaeaceae

Ingredient ID: NPC117713
Formula: C23H23NO10

Common Name	Usimine B
IUPAC Name	n.a.
Canonical SMILES	OC(=O)CC[C@@H](C(=O)O)/N=C(/C1=C(O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
Standard InCHI	InChI=1S/C23H23NO10/c1-8-18(29)16(10(3)25)20-17(19(8)30)23(4)13(34-20)7-12(26)15(21(23)31)9(2)24-11(22(32)33)5-6-14(27)28/h7,11,26,29-30H,5-6H2,1-4H3,(H,27,28)(H,32,33)/b24-9+/t11-,23-/m0/s1
Standard InCHIKey	WFFMTGCIAAQCKO-YBIMWRBWSA-N
Ingredient External Links	PubChem CID: NA ChEMBL ID: CHEMBL514578
Plant-Ingredient Association Reference	Database: UNPD [UNPD142676] Database: NPASS [NPC117713]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Helleborus niger	Helleborus	Ranunculaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC117713	C23H23NO10	Usimine B	473.13	-1.9337	2.78	-0.257	8	5	191.02	16	3	34	0
NPC149618	C19H18O8	Atranorin	374.1	0.2728	2.67	4.034	4	3	130.36	13	2	27	0
NPC150817	C36H52O15	(3S,5S,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde	724.330621	-4.3646	3.77	0.044	15	8	242.13	7	7	51	2
NPC158481	C10H12O4		196.0735589	0.3746	2.12	1.846	2	2	66.76	7	1	14	0
NPC159371	C19H14O9		386.063782	-0.0849	2.56	1.513	5	2	128.59	2	4	28	0
NPC17025	C25H32O7		444.2148034	-2.8124	3.44	6.19	3	2	94.45	11	3	32	2
NPC179202	C21H18O9		414.0950822	0.574	2.78	2.455	5	1	117.59	4	4	30	0
NPC189823	C9H10O4	Methyl Orsellinate	182.06	-0.2674	2.01	1.734	2	2	66.76	6	1	13	0
NPC221792	C24H25NO10	Usimine A	487.15	-1.6827	2.89	0.064	8	4	180.02	17	3	35	0
NPC230818	C10H12O4		196.0735589	-0.5843	2.12	0.898	1	2	66.76	7	1	14	0
NPC254273	C26H34O7	[10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	458.2304534	-0.9917	3.55	2.726	7	2	110.13	4	5	33	0
NPC263185	C29H36N2O5	(3S,6S,9R,11S,12S)-3,6-dibenzyl-4,9,11-trimethyl-12-propyl-1-oxa-4,7-diazacyclododecane-2,5,8,10-tetrone	492.2624223	-1.1439	3.88	7.469	7	1	96.27	6	3	36	1
NPC292213	C23H23NO10	Usimine C	473.13	-1.9337	2.78	-0.257	8	5	191.02	16	3	34	0
NPC300984	C25H28O8	Lobaric Acid	456.18	-2.5011	3.33	5.872	4	2	119.36	15	3	33	1
NPC62587	C26H32O9		488.2046326	-3.0522	3.33	5.856	5	3	131.75	12	3	35	2
NPC82920	C18H16O7	(+)-Usnic Acid	344.09	-1.202	2.67	0.819	4	3	121.13	9	3	25	0
NPC89669	C29H36O17	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	656.1952497	-5.5641	2.78	-1.935	13	11	285.75	12	4	46	3
NPC99441	C10H10O5	Methyl Haematommate	210.05	-0.4598	2.01	2.243	3	2	83.83	7	1	15	0

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1. General Information & structure data (InChi, InChiKey, SMILES)
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