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CHEBI:194571 - Ganoweberianone A

Default Structure
ChEBI IDCHEBI:194571
ChEBI NameGanoweberianone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H88O10
Net Charge0
Average Mass969.354
Monoisotopic Mass968.63775
SMILES[H][C@]1([C@]([H])(C)CC(=O)C[C@]([H])(C)C(=O)O[C@@]([H])(CC[C@@]([H])(C)[C@@]2([H])CC[C@@]3(C)C4=CC[C@@]5([H])C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]23C)[C@](C)(O)CO)C[C@@]([H])(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O
InChIInChI=1S/C60H88O10/c1-33(37-19-25-57(11)39-16-17-43-52(4,5)45(65)21-23-54(43,8)38(39)20-26-56(37,57)10)15-18-48(59(13,69)32-61)70-51(68)35(3)28-36(62)27-34(2)40-29-47(67)60(14)50-41(63)30-44-53(6,7)46(66)22-24-55(44,9)49(50)42(64)31-58(40,60)12/h16,20,33-35,37,40,43-44,47-48,61,67,69H,15,17-19,21-32H2,1-14H3/t33-,34-,35+,37-,40-,43+,44+,47-,48+,54-,55+,56-,57+,58-,59-,60+/m1/s1
InChIKeyKOHPJQAINZLZJM-ADOIXGOQSA-N
Species of MetaboliteComponentSourceComments
Macaca fascicularis (ncbitaxon:9541) liver (BTO:0000759) MetaboLights (MTBLS5005)
ChEBI Ontology
Outgoing Relation(s)
Ganoweberianone A (CHEBI:194571) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3S,6R)-1,2-dihydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] (2S,6R)-6-[(5R,10S,13R,14R,15R,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
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