EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200360 - Inoscavin A

ChEBI IDCHEBI:200360
ChEBI NameInoscavin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H18O9
Net Charge0
Average Mass462.410
Monoisotopic Mass462.09508
SMILESCC1=CC(=O)C2(O1)c1c(cc(/C=C/c3ccc(O)c(O)c3)oc1=O)OC2c1ccc(O)c(O)c1
InChIInChI=1S/C25H18O9/c1-12-8-21(30)25(34-12)22-20(33-23(25)14-4-7-17(27)19(29)10-14)11-15(32-24(22)31)5-2-13-3-6-16(26)18(28)9-13/h2-11,23,26-29H,1H3/b5-2+
InChIKeyZGKUEJPXTILOCD-GORDUTHDSA-N
Species of MetaboliteComponentSourceComments
Phellinus xeranticus (ncbitaxon:1143127) - DOI (10.1016/s0040-4039(99)01406-9)
ChEBI Ontology
Outgoing Relation(s)
Inoscavin A (CHEBI:200360) is a catechols (CHEBI:33566)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5'-methylspiro[2H-uro[3,2-c]pyran-3,2'-uran]-3',4-dione
Manual XrefsDatabases
8609895ChemSpider