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CHEBI:206134 - 13-dehydroxy-1,11-deacetylpyripyropene A

ChEBI IDCHEBI:206134
ChEBI Name13-dehydroxy-1,11-deacetylpyripyropene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO7
Net Charge0
Average Mass483.561
Monoisotopic Mass483.22570
SMILESCC(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@H]2Cc3c(cc(-c4cccnc4)oc3=O)O[C@]12C
InChIInChI=1S/C27H33NO7/c1-15(30)33-23-12-20-25(2,8-7-22(31)26(20,3)14-29)21-10-17-19(35-27(21,23)4)11-18(34-24(17)32)16-6-5-9-28-13-16/h5-6,9,11,13,20-23,29,31H,7-8,10,12,14H2,1-4H3/t20-,21-,22+,23+,25+,26+,27+/m1/s1
InChIKeyUCUFMEMASFFHAG-CITFJYJESA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (27804218)
ChEBI Ontology
Outgoing Relation(s)
13-dehydroxy-1,11-deacetylpyripyropene A (CHEBI:206134) is a steroid (CHEBI:35341)
IUPAC Name 
[(1R,2S,5S,6R,7R,9S,10S)-5-hydroxy-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
61362070ChemSpider