Summary

IMPPAT Phytochemical identifier: IMPHY015925

Phytochemical name: 6-Pentadecenyl salicylic acid

Synonymous chemical names:
salicylic acid,6-pentadecenyl

External chemical identifiers:
CID:3015429

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC=Cc1cccc(c1C(=O)O)O

InChI:
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h14-18,23H,2-13H2,1H3,(H,24,25)

InChIKey:
RGXOFHPRMSFZIL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=Ccccccc6C=O)O)))O

Functional groups:
cC(=O)O, cC=CC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.797

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Chemical structure download