Summary

IMPPAT Phytochemical identifier: IMPHY012016

Phytochemical name: 1,2,3,5-Tetrahydroxybenzene

Synonymous chemical names:
1,2,3,5-tetrahydroxy benzene

External chemical identifiers:
CID:12, ChEBI:16746, SureChEMBL:SCHEMBL67497

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Chemical structure information

SMILES:
Oc1cc(O)c(c(c1)O)O

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

InChIKey:
RDJUHLUBPADHNP-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)O))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: 1-hydroxy-4-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Oligomeric phloroglucinols (phlorotannins)

NP-Likeness score: 1.369

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Chemical structure download