15 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.
5 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC8158
Formula: C68H52O44
Ingredient ID: NPC8158
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H]2COC(=O)c3cc(Oc4c(cc(c(c4O)O)O)C(=O)O[C@H]4[C@@H](O[C@@H]([C@H]([C@@H]4OC(=O)c4cc(O)c(c(c4)O)O)OC(=O)c4cc(O)c(c(c4)O)O)COC(=O)c4cc(O)c(c(c4)O)O)OC(=O)c4cc(O)c(c(c4)O)O)c(c(c3c3c(C(=O)O[C@@H]1[C@@H]([C@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O |
| Standard InCHI | InChI=1S/C68H52O44/c69-24-1-16(2-25(70)41(24)81)59(94)102-15-38-55(107-60(95)17-3-26(71)42(82)27(72)4-17)57(109-61(96)18-5-28(73)43(83)29(74)6-18)58(68(106-38)112-63(98)20-9-32(77)45(85)33(78)10-20)110-66(101)23-12-35(80)47(87)52(92)54(23)104-36-13-22-40(51(91)48(36)88)39-21(11-34(79)46(86)50(39)90)65(100)108-56-49(89)37(14-103-64(22)99)105-67(53(56)93)111-62(97)19-7-30(75)44(84)31(76)8-19/h1-13,37-38,49,53,55-58,67-93H,14-15H2/t37-,38-,49-,53+,55-,56+,57+,58-,67-,68+/m1/s1 |
| Standard InCHIKey | OCPDRBYOQBZYPM-PFHWZHPASA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD952] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
 |
| Leonurus sibiricus | Leonurus | Lamiaceae |
 |
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC61152
Formula: C27H24O18
Ingredient ID: NPC61152
| Common Name | 1,3,6-Tri-O-Galloyl-Beta-D-Glucose |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1 |
| Standard InCHIKey | RNKMOGIPOMVCHO-SJMVAQJGSA-N |
| Ingredient External Links |
PubChem CID: 452707 ZINC ID: ZINC000028639308 ChEMBL ID: CHEMBL389895 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC61152] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Dryopteris aitoniana | Dryopteris | Dryopteridaceae | |
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
| Hedyosmum arborescens | Hedyosmum | Chloranthaceae | |
| Lagerstroemia speciosa | Lagerstroemia | Lythraceae |
|
| Psorospermum adamauense | Psorospermum | Hypericaceae |
Ingredient ID: NPC54308
Formula: C27H24O18
Ingredient ID: NPC54308
| Common Name | n.a. |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)O[C@@H]([C@@H]([C@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27-/m1/s1 |
| Standard InCHIKey | LLENXGNWVNSBQG-WPNCQGPHSA-N |
| Ingredient External Links |
PubChem CID: 11969002 ZINC ID: ZINC000029321918 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cornus officinalis | Cornus | Cornaceae |
|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC304720
Formula: C68H52O44
Ingredient ID: NPC304720
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H]2COC(=O)c3cc(Oc4c(cc(c(c4O)O)O)C(=O)O[C@H]4[C@@H](O[C@@H]([C@H]([C@@H]4OC(=O)c4cc(O)c(c(c4)O)O)OC(=O)c4cc(O)c(c(c4)O)O)COC(=O)c4cc(O)c(c(c4)O)O)OC(=O)c4cc(O)c(c(c4)O)O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O |
| Standard InCHI | InChI=1S/C68H52O44/c69-24-1-16(2-25(70)41(24)81)59(94)102-15-38-55(107-60(95)17-3-26(71)42(82)27(72)4-17)57(109-61(96)18-5-28(73)43(83)29(74)6-18)58(68(106-38)112-63(98)20-9-32(77)45(85)33(78)10-20)110-66(101)23-12-35(80)47(87)52(92)54(23)104-36-13-22-40(51(91)48(36)88)39-21(11-34(79)46(86)50(39)90)65(100)108-56-49(89)37(14-103-64(22)99)105-67(53(56)93)111-62(97)19-7-30(75)44(84)31(76)8-19/h1-13,37-38,49,53,55-58,67-93H,14-15H2/t37-,38-,49-,53-,55-,56+,57+,58-,67+,68+/m1/s1 |
| Standard InCHIKey | OCPDRBYOQBZYPM-SSRUQNKZSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD162710] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
| Euphorbia humifusa | Euphorbia | Euphorbiaceae |
|
Ingredient ID: NPC275913
Formula: C83H62O53
Ingredient ID: NPC275913
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C=CC(=O)C([C@]1(O)Oc2c3[C@@H]1CC(=O)O[C@@H]1[C@H]4COC(=O)c5cc(Oc6c(cc(c(c6O)O)O)C(=O)O[C@H]6[C@@H](O[C@@H]([C@H]([C@@H]6OC(=O)c6cc(O)c(c(c6)O)O)OC(=O)c6cc(O)c(c(c6)O)O)COC(=O)c6cc(O)c(c(c6)O)O)OC(=O)c6cc(O)c(c(c6)O)O)c(c(c5c5c(C(=O)O[C@@H]1[C@@H](OC(=O)c3cc(c2O)O)[C@@H](O4)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c5O)O)O)O)(O)O |
| Standard InCHI | InChI=1S/C83H62O53/c1-2-46(97)82(120,121)83(122)29-17-47(98)128-64-44-19-124-76(116)27-16-43(59(107)61(109)50(27)49-26(14-40(94)56(104)60(49)108)78(118)131-67(64)69(132-77(117)25-13-42(96)58(106)66(136-83)48(25)29)80(126-44)134-74(114)23-9-36(90)54(102)37(91)10-23)125-63-28(15-41(95)57(105)62(63)110)79(119)133-70-68(130-73(113)22-7-34(88)53(101)35(89)8-22)65(129-72(112)21-5-32(86)52(100)33(87)6-21)45(18-123-71(111)20-3-30(84)51(99)31(85)4-20)127-81(70)135-75(115)24-11-38(92)55(103)39(93)12-24/h2-16,29,44-45,64-65,67-70,80-81,84-96,99-110,120-122H,1,17-19H2/t29-,44+,45+,64+,65+,67-,68-,69+,70+,80-,81-,83+/m0/s1 |
| Standard InCHIKey | FTNAKGQDYHTLFM-MJTUEYHVSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD82566] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC27498
Formula: C89H62O57
Ingredient ID: NPC27498
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C(c1cc(O)c(c(c1)O)O)O[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)Oc1c(cc(c(c1O)O)O)C(=O)O)O)O)OC(=O)c1cc(O)c(c(c1Oc1cc2C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(c(c4)O)O)[C@@H]([C@H]([C@@H]3OC(=O)c3c(c2c(c1O)O)c(O)c(c(c3)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)O)O |
| Standard InCHI | InChI=1S/C89H62O57/c90-30-1-19(2-31(91)52(30)104)78(123)141-73-71-46(137-88(145-82(127)23-9-38(98)56(108)39(99)10-23)75(73)143-80(125)21-5-34(94)54(106)35(95)6-21)17-133-84(129)27-16-45(62(114)66(118)51(27)49-25(85(130)139-71)12-41(101)58(110)64(49)116)136-70-29(14-43(103)60(112)68(70)120)87(132)146-89-76(144-81(126)22-7-36(96)55(107)37(97)8-22)74(142-79(124)20-3-32(92)53(105)33(93)4-20)72-47(138-89)18-134-83(128)26-15-44(135-69-28(77(121)122)13-42(102)59(111)67(69)119)61(113)65(117)50(26)48-24(86(131)140-72)11-40(100)57(109)63(48)115/h1-16,46-47,71-76,88-120H,17-18H2,(H,121,122)/t46-,47-,71-,72-,73+,74+,75-,76-,88+,89+/m1/s1 |
| Standard InCHIKey | LFNFRQJSSHNROF-CAYKLZMMSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD14776] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC260844
Formula: C68H52O44
Ingredient ID: NPC260844
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)Oc1c(cc(c(c1O)O)O)C(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)COC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)O |
| Standard InCHI | InChI=1S/C68H52O44/c69-24-1-16(2-25(70)41(24)82)59(94)102-15-38-54(107-60(95)17-3-26(71)42(83)27(72)4-17)57(109-61(96)18-5-28(73)43(84)29(74)6-18)58(68(105-38)112-63(98)20-9-32(77)45(86)33(78)10-20)110-66(101)23-13-35(80)47(88)51(92)53(23)106-55-40-22(12-36(81)48(55)89)64(99)103-14-37-49(90)56(108-65(100)21-11-34(79)46(87)50(91)39(21)40)52(93)67(104-37)111-62(97)19-7-30(75)44(85)31(76)8-19/h1-13,37-38,49,52,54,56-58,67-93H,14-15H2/t37-,38-,49-,52-,54-,56+,57+,58-,67+,68+/m1/s1 |
| Standard InCHIKey | MLFGZWRJFKHMFT-YSGAFPAUSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD137916] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC222423
Formula: C30H48O
Ingredient ID: NPC222423
| Common Name | n.a. |
| IUPAC Name | (3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-ol |
| Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC=C3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
| Standard InCHI | InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,24-25,31H,11-18H2,1-8H3/t19-,20+,22+,24+,25+,27-,28+,29-,30-/m1/s1 |
| Standard InCHIKey | CPSHPTCUXNWYJT-JHYJMQNKSA-N |
| Ingredient External Links |
PubChem CID: 13996053 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD146573] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Syncarpia hillii | Syncarpia | Myrtaceae | |
| Lemaireocereus griseus | Lemaireocereus | Cactaceae |
|
| Diospyros eriantha | Diospyros | Ebenaceae | |
| Alkanna cappadocica | Alkanna | Boraginaceae |
|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Artemisia dentata | Artemisia | Asteraceae | |
| Salvia hispanica | Salvia | Lamiaceae |
|
| Scorzonera pseudodivaricata | Scorzonera | Asteraceae | |
| Rapanea lancifolia | Rapanea | Primulaceae | |
| Ononis vaginalis | Ononis | Fabaceae | |
| Humulus lupulus | Humulus | Cannabaceae |
 |
| Atalantia racemosa | Atalantia | Rutaceae |
|
| Buddleja cordata | Buddleja | Scrophulariaceae | |
| Millettia erythrocalyx | Millettia | Fabaceae |
|
| Juniperus rigida var. conferta | Juniperus | Cupressaceae |
|
| Hoffmannia strigillosa | Hoffmannia | Rubiaceae | |
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
| Crambe tatarica | Crambe | Brassicaceae |
|
| Pteris semipinnata | Pteris | Pteridaceae | |
| Fritillaria ningguoensis | Fritillaria | Liliaceae |
|
Ingredient ID: NPC184544
Formula: C27H24O18
Ingredient ID: NPC184544
| Common Name | n.a. |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5,6-dihydroxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O[C@H]1[C@H](O)O[C@@H]([C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)COC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(38)42-7-17-22(44-25(39)9-3-13(30)19(35)14(31)4-9)23(21(37)27(41)43-17)45-26(40)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-37,41H,7H2/t17-,21-,22-,23-,27-/m1/s1 |
| Standard InCHIKey | QNGJHYZWDAADHI-HDCOVYJKSA-N |
| Ingredient External Links |
PubChem CID: 14188641 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD190913] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Terminalia chebula | Terminalia | Combretaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC154995
Formula: C68H52O44
Ingredient ID: NPC154995
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)Oc1c(cc(c(c1O)O)O)C(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)COC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C68H52O44/c69-24-1-16(2-25(70)41(24)82)59(94)102-15-38-55(107-60(95)17-3-26(71)42(83)27(72)4-17)57(109-61(96)18-5-28(73)43(84)29(74)6-18)58(68(105-38)112-63(98)20-9-32(77)45(86)33(78)10-20)110-66(101)23-13-35(80)47(88)51(92)53(23)106-54-36(81)12-21-40(50(54)91)39-22(11-34(79)46(87)49(39)90)65(100)108-56-48(89)37(14-103-64(21)99)104-67(52(56)93)111-62(97)19-7-30(75)44(85)31(76)8-19/h1-13,37-38,48,52,55-58,67-93H,14-15H2/t37-,38-,48-,52-,55-,56+,57+,58-,67+,68+/m1/s1 |
| Standard InCHIKey | LCYCFZPQPQLORC-YUHAIENSSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD116712] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC130625
Formula: C41H32O28
Ingredient ID: NPC130625
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC(=O)C[C@@H]1C(=O)O[C@@H]2[C@H]3COC(=O)c4cc(O)c(c5c4[C@H]([C@@H](C(=O)O[C@@H]2[C@@H](OC(=O)c2c4[C@H]1[C@H](O)C(=O)Oc4c(c(c2)O)O)[C@@H](O3)OC(=O)c1cc(O)c(c(c1)O)O)CC(=O)O)[C@H](O)C(=O)O5)O |
| Standard InCHI | InChI=1S/C41H32O28/c42-13-1-8(2-14(43)24(13)50)34(55)69-41-33-32-29(64-37(58)11(5-18(46)47)21-23-10(36(57)68-33)4-16(45)26(52)31(23)66-40(61)28(21)54)17(63-41)7-62-35(56)9-3-15(44)25(51)30-22(9)20(27(53)39(60)65-30)12(6-19(48)49)38(59)67-32/h1-4,11-12,17,20-21,27-29,32-33,41-45,50-54H,5-7H2,(H,46,47)(H,48,49)/t11-,12-,17+,20-,21-,27-,28-,29+,32-,33+,41-/m0/s1 |
| Standard InCHIKey | RQCWVRZKLJDIFK-UEMQHOQISA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD105138] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC119094
Formula: C41H30O27
Ingredient ID: NPC119094
| Common Name | Chebulagic Acid |
| IUPAC Name | n.a. |
| Canonical SMILES | OC(=O)C[C@@H]1C(=O)O[C@@H]2[C@H]3COC(=O)c4cc(O)c(c(c4c4c(C(=O)O[C@@H]2[C@@H](OC(=O)c2c5[C@H]1[C@H](O)C(=O)Oc5c(c(c2)O)O)[C@@H](O3)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c4O)O)O)O |
| Standard InCHI | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1 |
| Standard InCHIKey | HGJXAVROWQLCTP-YABCKIEDSA-N |
| Ingredient External Links |
PubChem CID: 442674 ZINC ID: ZINC000169293868 ChEMBL ID: CHEMBL525240 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC119094] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Terminalia bellirica | Terminalia | Combretaceae |
|
| Excoecaria agallocha | Excoecaria | Euphorbiaceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Terminalia chebula | Terminalia | Combretaceae |
|
| Cunonia macrophylla | Cunonia | Cunoniaceae |
|
| Phyllanthus emblica | Phyllanthus | Phyllanthaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
| Euphorbia humifusa | Euphorbia | Euphorbiaceae |
|
Ingredient ID: NPC113836
Formula: C28H24O16
Ingredient ID: NPC113836
| Common Name | Isoquercitin 2''-O-Gallate |
| IUPAC Name | [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m1/s1 |
| Standard InCHIKey | PXGWEUQZDRUMRE-KQOASZHBSA-N |
| Ingredient External Links |
PubChem CID: 5480249 ZINC ID: ZINC000042804266 ChEMBL ID: CHEMBL459260 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC113836] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Acridocarpus vivy | Acridocarpus | Malpighiaceae | |
| Syneilesis palmata | Syneilesis | Asteraceae |
|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Pyrola japonica | Pyrola | Ericaceae |
|
| Rumex obtusifolius | Rumex | Polygonaceae |
|
| Artemisia afra | Artemisia | Asteraceae |
|
| Ipomopsis polycladon | Ipomopsis | Polemoniaceae | |
| Tamarix aphylla | Tamarix | Tamaricaceae |
|
| Eucalyptus staigeriana | Eucalyptus | Myrtaceae |
|
| Hylocereus ocamponis | Hylocereus | Cactaceae |
|
| Scilla dracomontana | Scilla | Hyacinthaceae | |
| Commiphora abyssinica | Commiphora | Burseraceae |
|
| Peperomia proctorii | Peperomia | Piperaceae | |
| Mitrephora diversifolia | Mitrephora | Annonaceae | |
| Xanthosoma violaceum | Xanthosoma | Araceae | |
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
| Euphorbia humifusa | Euphorbia | Euphorbiaceae |
|
| Epipactis palustris | Epipactis | Orchidaceae | |
| Uncaria donisii | Uncaria | Rubiaceae |
Ingredient ID: NPC108476
Formula: C32H52O2
Ingredient ID: NPC108476
| Common Name | Glutinol Acetate |
| IUPAC Name | [(3S,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] acetate |
| Canonical SMILES | CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2CC(C)(C)CC3)C)C)C1(C)C |
| Standard InCHI | InChI=1S/C32H52O2/c1-21(33)34-26-13-11-23-22(28(26,4)5)10-12-24-30(23,7)17-19-32(9)25-20-27(2,3)14-15-29(25,6)16-18-31(24,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24+,25-,26+,29-,30+,31-,32+/m1/s1 |
| Standard InCHIKey | CQQNBMVDVWGBMD-JZWVFCOJSA-N |
| Ingredient External Links |
PubChem CID: 1781002 ZINC ID: ZINC000002126370 ChEMBL ID: CHEMBL487567 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC108476] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Carya tonkinensis | Carya | Juglandaceae |
|
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Plantago indica | Plantago | Plantaginaceae | |
| Argusia argentea | Argusia | Heliotropiaceae |
|
Ingredient ID: NPC104222
Formula: C41H32O26
Ingredient ID: NPC104222
| Common Name | Pentagalloyl Glucose |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical SMILES | O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O |
| Standard InCHI | InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1 |
| Standard InCHIKey | QJYNZEYHSMRWBK-NIKIMHBISA-N |
| Ingredient External Links |
PubChem CID: 65238 ChEMBL ID: CHEMBL382408 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD77610] Database: NPASS [NPC104222] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Triaenophora rupestris | Triaenophora | Orobanchaceae | |
| Larix cajanderi | Larix | Pinaceae | |
| Sextonia rubra | Sextonia | Lauraceae | |
| Dioscorea japonica | Dioscorea | Dioscoreaceae |
|
| Rubus alceifolius | Rubus | Rosaceae |
|
| Cedrus libani | Cedrus | Pinaceae |
|
| Justicia paniculata | Justicia | Acanthaceae |
|
| Conyza canadensis | Conyza | Asteraceae |
|
| Khaya ivorensis | Khaya | Meliaceae |
|
| Coreopsis fasciculata | Coreopsis | Asteraceae | |
| Craspidospermum verticillatum | Craspidospermum | Apocynaceae | |
| Cornus officinalis | Cornus | Cornaceae |
|
| Cerinthe minor | Cerinthe | Boraginaceae | |
| Trilisa odoratissima | Trilisa | Asteraceae |
|
| Ixeris stolonifera | Ixeris | Asteraceae |
|
| Cephalaria grossheimii | Cephalaria | Caprifoliaceae | |
| Selinum carvifolium | Selinum | Apiaceae | |
| Lotus japonicus | Lotus | Fabaceae | |
| Melaleuca rhaphiophylla | Melaleuca | Myrtaceae | |
| Narcissus concolor | Narcissus | Amaryllidaceae | |
| Hypericum mysorense | Hypericum | Hypericaceae |
|
| Senecio renardii | Senecio | Asteraceae |
|
| Hypericum ascyron | Hypericum | Hypericaceae |
|
| Aristolochia zollingeriana | Aristolochia | Aristolochiaceae | |
| Chrysothamnus parryi | Chrysothamnus | Asteraceae | |
| Thuja plicata | Thuja | Cupressaceae |
|
| Mentha gattefossei | Mentha | Lamiaceae | |
| Bartramia pomiformis | Bartramia | Bartramiaceae |
|
| Felicia wrightii | Felicia | Asteraceae | |
| Magnolia biloba | Magnolia | Magnoliaceae |
|
| Helichrysum cymosum | Helichrysum | Asteraceae |
|
| Litsea lancifolia | Litsea | Lauraceae |
|
| Leontopodium nanum | Leontopodium | Asteraceae | |
| Larix decidua | Larix | Pinaceae |
 |
| Aspidosperma olivaceum | Aspidosperma | Apocynaceae |
|
| Strophanthus preussii | Strophanthus | Apocynaceae | |
| Agrostis epigeios | Agrostis | Poaceae | |
| Meryta lanceolata | Meryta | Araliaceae | |
| Crepis foetida | Crepis | Asteraceae |
|
| Cirsium japonicum | Cirsium | Asteraceae |
|
| Dorstenia lindeniana | Dorstenia | Moraceae | |
| Dioscoreophyllum cumminsii | Dioscoreophyllum | Menispermaceae |
|
| Phytolacca acinosa | Phytolacca | Phytolaccaceae |
|
| Garcinia hombroniana | Garcinia | Clusiaceae |
|
| Cardiospermum halicacabum | Cardiospermum | Sapindaceae |
|
| Aglaia elaeagnoidea | Aglaia | Meliaceae |
|
| Ehretia dicksonii | Ehretia | Ehretiaceae |
|
| Punica granatum | Punica | Lythraceae |
|
| Urtica triangularis | Urtica | Urticaceae |
|
| Pouzolzia occidentalis | Pouzolzia | Urticaceae | |
| Centaurea nigrescens | Centaurea | Asteraceae |
|
| Piper arboreum | Piper | Piperaceae |
|
| Parastrephia lepidophylla | Parastrephia | Asteraceae | |
| Phlogacanthus thyrsiflorus | Phlogacanthus | Acanthaceae |
|
| Euphorbia segetalis | Euphorbia | Euphorbiaceae | |
| Sidastrum acuminatum | Sidastrum | Malvaceae | |
| Syncolostemon parviflorus | Syncolostemon | Lamiaceae | |
| Paeonia suffruticosa | Paeonia | Paeoniaceae |
|
| Aristolochia elegans | Aristolochia | Aristolochiaceae | |
| Clematis tangutica | Clematis | Ranunculaceae |
|
| Penstemon secundiflorus | Penstemon | Plantaginaceae | |
| Cuphea carthagenensis | Cuphea | Lythraceae | |
| Ozoroa insignis | Ozoroa | Anacardiaceae |
|
| Ruta microcarpa | Ruta | Rutaceae |
|
| Crinum defixum | Crinum | Amaryllidaceae |
|
| Cynoglossum germanicum | Cynoglossum | Boraginaceae | |
| Litsea zeylanica | Litsea | Lauraceae |
|
| Zanthoxylum monophyllum | Zanthoxylum | Rutaceae | |
| Centaurea squarrosa | Centaurea | Asteraceae | |
| Litsea rotundifolia | Litsea | Lauraceae | |
| Senna siamea | Senna | Fabaceae |
|
| Virola multinervia | Virola | Myristicaceae |
|
| Leonurus sibiricus | Leonurus | Lamiaceae |
|
| Cordylanthus kingii | Cordylanthus | Orobanchaceae | |
| Artemisia carvifolia | Artemisia | Asteraceae | |
| Annona impressivenia | Annona | Annonaceae | |
| Alseodaphne corneri | Alseodaphne | Lauraceae | |
| Thymus piperella | Thymus | Lamiaceae |
|
| Forsteronia refracta | Forsteronia | Apocynaceae | |
| Eragrostis viscosa | Eragrostis | Poaceae |
|
| Plectranthus fruticosus | Plectranthus | Lamiaceae |
|
| Nauclea officinalis | Nauclea | Rubiaceae |
|
| Holocarpha obconica | Holocarpha | Asteraceae | |
| Grewia mollis | Grewia | Malvaceae |
|
| Astragalus gummifer | Astragalus | Fabaceae |
|
| Heterotheca grandiflora | Heterotheca | Asteraceae | |
| Croton cumingii | Croton | Euphorbiaceae |
|
| Bersama yangambiensis | Bersama | Melianthaceae | |
| Ruta pinnata | Ruta | Rutaceae |
|
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Disynaphia halimifolia | Disynaphia | Asteraceae | |
| Kaunia saltensis | Kaunia | Asteraceae | |
| Carya tonkinensis | Carya | Juglandaceae |
|
| Heliotropium floridum | Heliotropium | Heliotropiaceae | |
| Castanopsis sclerophylla | Castanopsis | Fagaceae |
|
| Gymnocarpium robertianum | Gymnocarpium | Cystopteridaceae | |
| Oncoba echinata | Oncoba | Salicaceae | |
| Salvia dorrii | Salvia | Lamiaceae | |
| Juglans nigra | Juglans | Juglandaceae |
|
| Teucrium depressum | Teucrium | Lamiaceae | |
| Mangifera indica | Mangifera | Anacardiaceae |
|
| Aconitum nevadense | Aconitum | Ranunculaceae | |
| Trichilia rubescens | Trichilia | Meliaceae | |
| Conocephalum japonicum | Conocephalum | Conocephalaceae | |
| Bupleurum chinense | Bupleurum | Apiaceae |
|
| Hovenia acerba | Hovenia | Rhamnaceae |
|
| Stevia polycephala | Stevia | Asteraceae | |
| Plantago indica | Plantago | Plantaginaceae | |
| Triglochin maritima | Triglochin | Juncaginaceae |
|
| Sophora angustifolia | Sophora | Fabaceae | |
| Kaempferia marginata | Kaempferia | Zingiberaceae |
|
| Argusia argentea | Argusia | Heliotropiaceae |
|
| Cephalaria uralensis | Cephalaria | Caprifoliaceae | |
| Balanophora involucrata | Balanophora | Balanophoraceae |
|
| Fridericia chica | Fridericia | Bignoniaceae |
|
| Lupinus verbasciformis | Lupinus | Fabaceae | |
| Geranium sylvaticum | Geranium | Geraniaceae | |
| Doodia picta | Doodia | Blechnaceae | |
| Toxicodendron vernicifluum | Toxicodendron | Anacardiaceae |
|
| Haplophyllum ferganicum | Haplophyllum | Rutaceae | |
| Callicarpa maingayi | Callicarpa | Lamiaceae | |
| Crotalaria aegyptiaca | Crotalaria | Fabaceae | |
| Euphorbia humifusa | Euphorbia | Euphorbiaceae |
|
| Aglaia laxiflora | Aglaia | Meliaceae |
|
| Aframomum amaniense | Aframomum | Zingiberaceae | |
| Phedimus kamtschaticus | Phedimus | Crassulaceae |
|
| Khaya senegalensis | Khaya | Meliaceae |
|
| Dicoma capensis | Dicoma | Asteraceae |
|
| Nama hispidum | Nama | Namaceae | |
| Digitalis isabelliana | Digitalis | Plantaginaceae | |
| Scopolia hladnikiana | Scopolia | Solanaceae | |
| Beilschmiedia anacardioides | Beilschmiedia | Lauraceae |
|
| Sonchus ortunoi | Sonchus | Asteraceae | |
| Pteris radiata | Pteris | Pteridaceae | |
| Styrax ferrugineus | Styrax | Styracaceae |
|
| Vincetoxicum hirundinaria | Vincetoxicum | Apocynaceae |
|
| Euphorbia turczaninowii | Euphorbia | Euphorbiaceae |
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC104222 | C41H32O26 | Pentagalloyl Glucose | 940.12 | -7.5719 | 3.11 | 0.697 | 11 | 15 | 444.18 | 31 | 6 | 67 | 3 |
| NPC108476 | C32H52O2 | Glutinol Acetate | 468.4 | 3.3907 | 4.76 | 12.286 | 2 | 0 | 26.3 | 11 | 5 | 34 | 1 |
| NPC113836 | C28H24O16 | Isoquercitin 2''-O-Gallate | 616.11 | -5.9038 | 2.78 | 0.039 | 8 | 10 | 273.36 | 17 | 5 | 44 | 1 |
| NPC119094 | C41H30O27 | Chebulagic Acid | 954.1 | -6.8232 | 3 | -1.67 | 15 | 13 | 447.09 | 18 | 8 | 68 | 2 |
| NPC130625 | C41H32O28 | 972.1080104 | -6.0745 | 2.89 | -2.373 | 19 | 11 | 450 | 7 | 8 | 69 | 2 | |
| NPC154995 | C68H52O44 | 1572.183145 | -12.8142 | 4.1 | -1.331 | 20 | 25 | 743.84 | 21 | 11 | 112 | 3 | |
| NPC184544 | C27H24O18 | [(2R,3R,4R,5R,6R)-5,6-dihydroxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate | 636.0962639 | -5.5485 | 2.45 | -0.518 | 9 | 11 | 310.66 | 10 | 4 | 45 | 1 |
| NPC222423 | C30H48O | (3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1H-picen-3-ol | 424.3705162 | 2.7063 | 4.65 | 10.057 | 1 | 1 | 20.23 | 0 | 5 | 31 | 1 |
| NPC260844 | C68H52O44 | 1572.183145 | -12.8142 | 4.1 | -0.902 | 20 | 25 | 743.84 | 21 | 11 | 112 | 3 | |
| NPC27498 | C89H62O57 | 2042.195285 | -16.1521 | 4.98 | -0.462 | 24 | 32 | 964.35 | 23 | 15 | 146 | 3 | |
| NPC275913 | C83H62O53 | 1906.215627 | -14.4257 | 4.76 | -1.586 | 26 | 28 | 883.43 | 24 | 14 | 136 | 3 | |
| NPC304720 | C68H52O44 | 1572.183145 | -12.8142 | 4.1 | -0.902 | 20 | 25 | 743.84 | 21 | 11 | 112 | 3 | |
| NPC54308 | C27H24O18 | [(2R,3S,4S,5R,6R)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate | 636.0962639 | -5.5485 | 2.45 | -0.518 | 9 | 11 | 310.66 | 10 | 4 | 45 | 1 |
| NPC61152 | C27H24O18 | 1,3,6-Tri-O-Galloyl-Beta-D-Glucose | 636.1 | -5.5485 | 2.45 | -0.947 | 9 | 11 | 310.66 | 21 | 4 | 45 | 1 |
| NPC8158 | C68H52O44 | 1572.183145 | -12.8142 | 4.1 | -0.902 | 20 | 25 | 743.84 | 21 | 11 | 112 | 3 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
