Summary

IMPPAT Phytochemical identifier: IMPHY015644

Phytochemical name: (S,E)-Lyratol propanoate

Synonymous chemical names:
(e )-lyratyl propanoate

External chemical identifiers:
CID:91748889, ChEBI:143057

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Chemical structure information

SMILES:
C=CC(C(=C)C)/C=C(/COC(=O)CC)C

InChI:
InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3/b11-8+

InChIKey:
UYACSVLHQPEITQ-DHZHZOJOSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.058

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Chemical structure download