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CHEBI:205780 - Ganolactone B

Default Structure
ChEBI IDCHEBI:205780
ChEBI NameGanolactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O6
Net Charge0
Average Mass458.595
Monoisotopic Mass458.26684
SMILESCC1([C@H]2CC(=O)[C@@]3(C)C4=C(C(=O)C[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2C[C@@H]4O)CCC(=O)O1
InChIInChI=1S/C27H38O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-18,28,30H,7-13H2,1-6H3/t14-,16-,17-,18-,24-,25+,26?,27-/m0/s1
InChIKeyFXUVJKGSDBTXTJ-MJJUKISYSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (17960104)
ChEBI Ontology
Outgoing Relation(s)
Ganolactone B (CHEBI:205780) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione
Manual XrefsDatabases
78441059ChemSpider