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CHEBI:216130 - Coloratin B

ChEBI IDCHEBI:216130
ChEBI NameColoratin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O6
Net Charge0
Average Mass240.211
Monoisotopic Mass240.06339
SMILESCOC(=O)c1c(OC)cc(OC)cc1C(=O)O
InChIInChI=1S/C11H12O6/c1-15-6-4-7(10(12)13)9(11(14)17-3)8(5-6)16-2/h4-5H,1-3H3,(H,12,13)
InChIKeyIVQQBKGPJZNVKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xylaria intracolorata (ncbitaxon:743261) - PubMed (16644525)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Coloratin B (CHEBI:216130) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
3,5-dimethoxy-2-methoxycarbonylbenzoic acid
Manual XrefsDatabases
78434876ChemSpider