Chemical Components in the PDB

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8YO : Summary

Code

8YO

One-letter code

X

Molecule name

7-methoxy-1-benzofuran-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 7-methoxy-1-benzofuran-2-carboxylic acid

Formula

C10 H8 O4

Formal charge

0

Molecular weight

192.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cccc2cc(oc12)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 COc1cccc2c1oc(c2)C(=O)O
Canonical SMILES CACTVS 3.385 COc1cccc2cc(oc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1cccc2c1oc(c2)C(=O)O

IUPAC InChI

InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)

IUPAC InChI key

UOCNTRAAJNWDND-UHFFFAOYSA-N

Is part of

8Z0
8YO

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-09

Last modified at

2018-07-06

Status

Released

Obsoleted

Not Assigned