Summary

IMPPAT Phytochemical identifier: IMPHY005353

Phytochemical name: Fukiic acid

Synonymous chemical names:
fukiic acid

External chemical identifiers:
CID:161871, ChEBI:166659, FDASRS:97F6DHV594

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Chemical structure information

SMILES:
OC(=O)[C@H]([C@@](C(=O)O)(Cc1ccc(c(c1)O)O)O)O

InChI:
InChI=1S/C11H12O8/c12-6-2-1-5(3-7(6)13)4-11(19,10(17)18)8(14)9(15)16/h1-3,8,12-14,19H,4H2,(H,15,16)(H,17,18)/t8-,11-/m1/s1

InChIKey:
PHFSBARLASYIFM-LDYMZIIASA-N

DeepSMILES:
OC=O)[C@H][C@@]C=O)O))Ccccccc6)O))O))))))O))O

Functional groups:
CC(=O)O, CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Phenylpropanoic acids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.473

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Chemical structure download