Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017329

Phytochemical name: Nerolic acid

Synonymous chemical names:
cis-geranic acid

External chemical identifiers:
CID:CID_5312583, ZINC:ZINC000005339839, FDASRS:6K8MFD7K03, SureChEMBL:SCHEMBL310619, MolPort-022-370-949

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Chemical structure information

SMILES:
CC(=CCC/C(=C\C(=O)O)/C)C

InChI:
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-

InChIKey:
ZHYZQXUYZJNEHD-CLFYSBASSA-N

DeepSMILES:
CC=CCC/C=C\C=O)O)))/C)))))C

Functional groups:
CC=C(C)C, C/C(C)=C\C(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty Acids and Conjugates, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Branched fatty acids, Unsaturated fatty acids

NP-Likeness score: 2.423

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Chemical structure download