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CHEBI:216293 - Phomopsterone A

ChEBI IDCHEBI:216293
ChEBI NamePhomopsterone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILESCOC(=O)C1=CC(=O)[C@H]2C[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@@H]4O[C@H]4[C@H](C)C(C)C)CC[C@@]34O[C@@]14[C@@H]2O
InChIInChI=1S/C29H42O6/c1-14(2)15(3)22-23(34-22)16(4)18-8-11-28-27(18,6)10-9-21-26(5)13-17(24(31)29(21,28)35-28)20(30)12-19(26)25(32)33-7/h12,14-18,21-24,31H,8-11,13H2,1-7H3/t15-,16+,17-,18-,21-,22+,23+,24-,26+,27-,28-,29-/m1/s1
InChIKeyGQGRHHQOPCZNAP-QMOBPBEPSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (28004944)
ChEBI Ontology
Outgoing Relation(s)
Phomopsterone A (CHEBI:216293) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (1R,2R,5R,6R,9R,11R,12R,13S)-12-hydroxy-1,5-dimethyl-6-[(1S)-1-[(2S,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-14-oxo-10-oxapentacyclo[11.3.1.02,11.05,9.09,11]heptadec-15-ene-16-carboxylate
Manual XrefsDatabases
58827007ChemSpider