Summary

IMPPAT Phytochemical identifier: IMPHY014001

Phytochemical name: 1,2,3,4-Benzenetetrol

Synonymous chemical names:
1,2,3,4-tetrahydroxy benzene

External chemical identifiers:
CID:588355, SureChEMBL:SCHEMBL338346

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Chemical structure information

SMILES:
Oc1c(O)ccc(c1O)O

InChI:
InChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,7-10H

InChIKey:
VERMEZLHWFHDLK-UHFFFAOYSA-N

DeepSMILES:
OccO)cccc6O))O

Functional groups:
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: Phenols

ClassyFire Subclass: Benzenetriols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP-Likeness score: 0.856

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Chemical structure download