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CHEBI:220288 - 7beta,20,23xi-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid

Default Structure
ChEBI IDCHEBI:220288
ChEBI Name7beta,20,23xi-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
SMILESCC(CC(O)CC(C)(O)[C@@H]1CC(=O)[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O)C(=O)O
InChIInChI=1S/C30H44O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15-17,19-20,31-32,38H,8-14H2,1-7H3,(H,36,37)/t15?,16?,17-,19-,20-,27-,28+,29?,30-/m1/s1
InChIKeyXMBMRJGNNOUNJL-BRJCVRGZSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (15270562)
ChEBI Ontology
Outgoing Relation(s)
7beta,20,23xi-trihydroxy-3,11,15-trioxolanosta-8-en-26-oic acid (CHEBI:220288) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4,6-dihydroxy-6-[(5S,7R,10R,13S,14S,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Manual XrefsDatabases
78445440ChemSpider