Chemical Components in the PDB

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CUH : Summary

Code

CUH

One-letter code

X

Molecule name

2,3,4-Trihydroxybenzophenone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 phenyl-[2,3,4-tris(oxidanyl)phenyl]methanone

Formula

C13 H10 O4

Formal charge

0

Molecular weight

230.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ccc(c(O)c1O)C(=O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O
Canonical SMILES CACTVS 3.385 Oc1ccc(c(O)c1O)C(=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O

IUPAC InChI

InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H

IUPAC InChI key

HTQNYBBTZSBWKL-UHFFFAOYSA-N
CUH

wwPDB Information

Atom count

27 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-05

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned