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CHEBI:218884 - Pleurocin B

ChEBI IDCHEBI:218884
ChEBI NamePleurocin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C(=O)[C@@]12O
InChIInChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-22-25(20,5)13-12-21-23-27(32-23)15-19(29)11-14-26(27,6)24(30)28(21,22)31/h16-23,29,31H,7-15H2,1-6H3/t17-,18+,19-,20+,21+,22+,23-,25+,26+,27-,28+/m0/s1
InChIKeyORJCVBFQWXNRJY-BNMVFICBSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - PubMed (28856887)
ChEBI Ontology
Outgoing Relation(s)
Pleurocin B (CHEBI:218884) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1R,2S,4R,6S,9S,11S,12R,15R,16R)-15-[(2R,5S)-5,6-dimethylheptan-2-yl]-6,11-dihydroxy-9,16-dimethyl-3-oxapentacyclo[9.7.0.02,4.04,9.012,16]octadecan-10-one
Manual XrefsDatabases
78439466ChemSpider