Summary

IMPPAT Phytochemical identifier: IMPHY010076

Phytochemical name: (Z)-6-Nonen-4-olide

Synonymous chemical names:
(z)-6-nonen-4-olide, (z)6-nonen-4-olide

External chemical identifiers:
CID:6428855, FDASRS:2MNL392UBF

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Chemical structure information

SMILES:
CC/C=CCC1CCC(=O)O1

InChI:
InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,8H,2,5-7H2,1H3/b4-3-

InChIKey:
FPWNJNJVLBJJSN-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCCCCC=O)O5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.686

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Chemical structure download