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CHEBI:216076 - 1,11-dideacetyl pyripyropene A

ChEBI IDCHEBI:216076
ChEBI Name1,11-dideacetyl pyripyropene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO8
Net Charge0
Average Mass499.560
Monoisotopic Mass499.22062
SMILESCC(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C
InChIInChI=1S/C27H33NO8/c1-14(30)34-20-11-18-25(2,8-7-19(31)26(18,3)13-29)23-22(32)21-17(36-27(20,23)4)10-16(35-24(21)33)15-6-5-9-28-12-15/h5-6,9-10,12,18-20,22-23,29,31-32H,7-8,11,13H2,1-4H3/t18-,19+,20+,22+,23-,25+,26+,27-/m1/s1
InChIKeyVEVRHRCWDFOGJW-ODHUSUJMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri NRRL 181 (ncbitaxon:331117) - PubMed (30366473)
ChEBI Ontology
Outgoing Relation(s)
1,11-dideacetyl pyripyropene A (CHEBI:216076) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
[(1S,2S,5S,6R,7R,9S,10S,18R)-5,18-dihydroxy-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-9-yl] acetate
Manual XrefsDatabases
8824387ChemSpider