Summary

IMPPAT Phytochemical identifier: IMPHY009981

Phytochemical name: Geranyl isobutyrate

Synonymous chemical names:
geranyl isobutyrate

External chemical identifiers:
CID:6086514, ChEBI:145741, ZINC:ZINC000001850861, FDASRS:P6D2F72907, SureChEMBL:SCHEMBL397326, MolPort-006-114-216

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Chemical structure information

SMILES:
C/C(=CCOC(=O)C(C)C)/CCC=C(C)C

InChI:
InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+

InChIKey:
OGJYXQFXLSCKTP-UKTHLTGXSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 1.922

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Chemical structure download