Summary

IMPPAT Phytochemical identifier: IMPHY002136

Phytochemical name: (S)-Batatic acid

Synonymous chemical names:
batatic-acid

External chemical identifiers:
CID:12300005, ChEBI:173968

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Chemical structure information

SMILES:
OC(=O)C(CCC(=O)c1cocc1)C

InChI:
InChI=1S/C10H12O4/c1-7(10(12)13)2-3-9(11)8-4-5-14-6-8/h4-7H,2-3H2,1H3,(H,12,13)

InChIKey:
IVEUNBPJQOKPGL-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCC=O)ccocc5))))))))C

Functional groups:
CC(=O)O, cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP-Likeness score: 1.09

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Chemical structure download