Summary

IMPPAT Phytochemical identifier: IMPHY008393

Phytochemical name: 5-(1-Hydroxytridecyl)oxolan-2-one

Synonymous chemical names:
muricatacin

External chemical identifiers:
CID:10016749

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(C1CCC(=O)O1)O

InChI:
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3

InChIKey:
VFLQJBVJJLGBKM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC=O)O5)))))O

Functional groups:
CO, 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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Linear polyketides

NP Classifier Class: Acetogenins

NP-Likeness score: 1.704

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Chemical structure download