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CHEBI:206145 - 11-deacetylpyripyropene O

ChEBI IDCHEBI:206145
ChEBI Name11-deacetylpyripyropene O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO6
Net Charge0
Average Mass467.562
Monoisotopic Mass467.23079
SMILESCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4C[C@H]23)[C@]1(C)CO
InChIInChI=1S/C27H33NO6/c1-16(30)32-23-8-9-25(2)21(26(23,3)15-29)7-10-27(4)22(25)12-18-20(34-27)13-19(33-24(18)31)17-6-5-11-28-14-17/h5-6,11,13-14,21-23,29H,7-10,12,15H2,1-4H3/t21-,22-,23+,25+,26+,27-/m1/s1
InChIKeyXZOGWFNSIWMILU-RARRGPIESA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (27804218)
ChEBI Ontology
Outgoing Relation(s)
11-deacetylpyripyropene O (CHEBI:206145) is a steroid (CHEBI:35341)
IUPAC Name 
[(1R,2S,5S,6R,7R,10R)-6-(hydroxymethyl)-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate
Manual XrefsDatabases
61362072ChemSpider