EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190055 - Vitisifuran B

ChEBI IDCHEBI:190055
ChEBI NameVitisifuran B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H40O12
Net Charge0
Average Mass904.924
Monoisotopic Mass904.25198
SMILESOc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4C(c4cc(O)cc(O)c4)C(c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C56H40O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,50-51,54-55,57-65H/b3-1+
InChIKeyRKYGXSRYQYKCPA-HNQUOIGGSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Vitisifuran B (CHEBI:190055) is a benzofurans (CHEBI:35259)
IUPAC Name 
5-[4-[(E)-2-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]-2-(4-hydroxyphenyl)-1-benzouran-5-yl]ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol
Manual XrefsDatabases
HMDB0035496HMDB
35013937ChemSpider