Summary

IMPPAT Phytochemical identifier: IMPHY017450

Phytochemical name: 13-Tetradecanolide

Synonymous chemical names:
tetradecan13olide

External chemical identifiers:
CID:543405, SureChEMBL:SCHEMBL3090419

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Chemical structure information

SMILES:
CC1CCCCCCCCCCCC(=O)O1

InChI:
InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3

InChIKey:
FGDBANZBXSVCEG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)O%14

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCCCCCCCCCO1

Scaffold Graph/Node level:
OC1CCCCCCCCCCCCO1

Scaffold Graph level:
CC1CCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolides and analogues

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 1.11

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Chemical structure download