EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197545 - Viticolin B

ChEBI IDCHEBI:197545
ChEBI NameViticolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O6
Net Charge0
Average Mass226.184
Monoisotopic Mass226.04774
SMILESCOc1cc(C(=O)O)cc(=O)c(OC)c1O
InChIInChI=1S/C10H10O6/c1-15-7-4-5(10(13)14)3-6(11)9(16-2)8(7)12/h3-4,12H,1-2H3,(H,13,14)
InChIKeyWVBPTDMOPNMMDP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium viticola (ncbitaxon:1071046) - PubMed (21063422)
ChEBI Ontology
Outgoing Relation(s)
Viticolin B (CHEBI:197545) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
5-hydroxy-4,6-dimethoxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Manual XrefsDatabases
78434593ChemSpider