Summary

IMPPAT Phytochemical identifier: IMPHY015924

Phytochemical name: Salicylic acid, 6-(heptadecenyl)-

Synonymous chemical names:
salicylic acid, 6-heptadecenyl

External chemical identifiers:
CID:6443011

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC/C=C/c1cccc(c1C(=O)O)O

InChI:
InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h16-20,25H,2-15H2,1H3,(H,26,27)/b18-16+

InChIKey:
KGOSPNJCEHLXHB-FBMGVBCBSA-N

DeepSMILES:
CCCCCCCCCCCCCCC/C=C/cccccc6C=O)O)))O

Functional groups:
c/C=C/C, cC(=O)O, 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: 0.738

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Chemical structure download