Chemical Components in the PDB

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SH8 : Summary

Code

SH8

One-letter code

X

Molecule name

6-methyl-2-oxidanylidene-chromene-3-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid

Formula

C11 H8 O4

Formal charge

0

Molecular weight

204.179 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc2OC(=O)C(=Cc2c1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O
Canonical SMILES CACTVS 3.385 Cc1ccc2OC(=O)C(=Cc2c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O

IUPAC InChI

InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)

IUPAC InChI key

FJICLQQBBFWGMZ-UHFFFAOYSA-N
SH8

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-07

Last modified at

2020-05-15

Status

Released

Obsoleted

Not Assigned