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CHEBI:183522 - 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid

Default Structure
ChEBI IDCHEBI:183522
ChEBI Name7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
SMILESCC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O
InChIInChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)
InChIKeyLCIUOVOXWPIXOR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid (CHEBI:183522) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-(7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
Manual XrefsDatabases
57583067ChemSpider
HMDB0033023HMDB