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CHEBI:211850 - 13-Dehydroxyl pyripyropene A

ChEBI IDCHEBI:211850
ChEBI Name13-Dehydroxyl pyripyropene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37NO9
Net Charge0
Average Mass567.635
Monoisotopic Mass567.24683
SMILESCC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4C[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O
InChIInChI=1S/C31H37NO9/c1-17(33)37-16-30(5)24-14-27(39-19(3)35)31(6)25(29(24,4)10-9-26(30)38-18(2)34)12-21-23(41-31)13-22(40-28(21)36)20-8-7-11-32-15-20/h7-8,11,13,15,24-27H,9-10,12,14,16H2,1-6H3/t24-,25-,26+,27+,29+,30+,31+/m1/s1
InChIKeyCUYKZBWMGHLTKQ-XOPQWMTMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (26771621)
ChEBI Ontology
Outgoing Relation(s)
13-Dehydroxyl pyripyropene A (CHEBI:211850) is a steroid (CHEBI:35341)
IUPAC Name 
[(1R,2S,5S,6R,7R,9S,10S)-5,9-diacetyloxy-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-6-yl]methyl acetate
Manual XrefsDatabases
58196494ChemSpider