Summary

IMPPAT Phytochemical identifier: IMPHY012443

Phytochemical name: Garhwalin

Synonymous chemical names:
garhwalin

External chemical identifiers:
CID:188707

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Chemical structure information

SMILES:
COc1cc2occc2c2c1c(=O)c(co2)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C19H12O6/c1-21-16-7-14-11(4-5-22-14)19-17(16)18(20)12(8-23-19)10-2-3-13-15(6-10)25-9-24-13/h2-8H,9H2,1H3

InChIKey:
HEOAJOAZVYRLMA-UHFFFAOYSA-N

DeepSMILES:
COcccoccc5cc9c=O)cco6))cccccc6)OCO5

Functional groups:
c1cOCO1, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)OCO3)coc2c1ccc1occc12

Scaffold Graph/Node level:
OC1C(C2CCC3OCOC3C2)COC2C3CCOC3CCC12

Scaffold Graph level:
CC1C(C2CCC3CCCC3C2)CCC2C3CCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.101

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Chemical structure download