EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198162 - Hongoquercin B

ChEBI IDCHEBI:198162
ChEBI NameHongoquercin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4c(cc(C)c(C(=O)O)c4O)O[C@]3(C)CC[C@H]2C1(C)C
InChIInChI=1S/C25H34O6/c1-13-11-16-15(21(27)20(13)22(28)29)12-18-24(5)9-8-19(30-14(2)26)23(3,4)17(24)7-10-25(18,6)31-16/h11,17-19,27H,7-10,12H2,1-6H3,(H,28,29)/t17-,18+,19-,24-,25+/m0/s1
InChIKeyJJEZUNHVLOCFHS-KSDLHCFASA-N
ChEBI Ontology
Outgoing Relation(s)
Hongoquercin B (CHEBI:198162) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(3S,4aR,6aR,12aR,12bS)-3-acetyloxy-11-hydroxy-4,4,6a,9,12b-pentamethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-10-carboxylic acid
Manual XrefsDatabases
8797898ChemSpider