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CHEBI:214773 - Polyporoid B

ChEBI IDCHEBI:214773
ChEBI NamePolyporoid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O7
Net Charge0
Average Mass492.653
Monoisotopic Mass492.30870
SMILESC[C@@H]1[C@H]([C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)OC[C@H]1C
InChIInChI=1S/C28H44O7/c1-14-13-35-23(15(14)2)24(32)27(5,33)22-7-9-28(34)17-10-19(29)18-11-20(30)21(31)12-25(18,3)16(17)6-8-26(22,28)4/h10,14-16,18,20-24,30-34H,6-9,11-13H2,1-5H3/t14-,15+,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-,28-/m1/s1
InChIKeyHHPPCGSBRMCORM-QTSUHJLRSA-N
Species of MetaboliteComponentSourceComments
Polyporus umbellatus (ncbitaxon:158314) - PubMed (18439824)
ChEBI Ontology
Outgoing Relation(s)
Polyporoid B (CHEBI:214773) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R,2R)-1-[(2R,3S,4S)-3,4-dimethyloxolan-2-yl]-1,2-dihydroxypropan-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
Manual XrefsDatabases
23316740ChemSpider