Summary

IMPPAT Phytochemical identifier: IMPHY000687

Phytochemical name: Syringic acid

Synonymous chemical names:
4-hydroxy-35-dimethoxy-benzoic acid, syringic, syringic acid

External chemical identifiers:
CID:10742, ChEMBL:CHEMBL1414, ChEBI:68329, ZINC:ZINC000000156386, FDASRS:E390O181H5, SureChEMBL:SCHEMBL42751, MolPort-000-555-503

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Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)C(=O)O

InChI:
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

InChIKey:
JMSVCTWVEWCHDZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC))))C=O)O

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

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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: 0.544

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Chemical structure download