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CHEBI:176164 - Polyporusterone A

ChEBI IDCHEBI:176164
ChEBI NamePolyporusterone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O6
Net Charge0
Average Mass478.670
Monoisotopic Mass478.32944
SMILES[H][C@]1([C@@](C)(O)[C@H](O)C[C@H](C)C(C)C)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3/t16-,17-,19-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1
InChIKeyKQBCIGPPRFLKLS-UMQUCXETSA-N
ChEBI Ontology
Outgoing Relation(s)
Polyporusterone A (CHEBI:176164) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
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