Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014523

Phytochemical name: Salicylate

Synonymous chemical names:
salicylates

External chemical identifiers:
CID:CID_54675850, ChEBI:CHEBI:30762

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Chemical structure information

SMILES:
OC(=O)c1ccccc1[O-]

InChI:
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1

InChIKey:
YGSDEFSMJLZEOE-UHFFFAOYSA-M

DeepSMILES:
OC=O)cccccc6[O-]

Functional groups:
cC(=O)O, c[O-]

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: -0.251

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Chemical structure download