Summary

IMPPAT Phytochemical identifier: IMPHY002864

Phytochemical name: Tricin arabinoside

Synonymous chemical names:
setaricin

External chemical identifiers:
CID:14354986

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)OC1OCC(C(C1O)O)O

InChI:
InChI=1S/C22H22O11/c1-29-16-3-9(4-17(30-2)20(16)27)14-7-12(24)18-11(23)5-10(6-15(18)33-14)32-22-21(28)19(26)13(25)8-31-22/h3-7,13,19,21-23,25-28H,8H2,1-2H3

InChIKey:
MJMGQZTXKNKYCG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC))))ccc=O)cco6)cccc6O)))OCOCCCC6O))O))O

Functional groups:
CO, c=O, cO, cOC, cOC(C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.68

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Chemical structure download