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CHEBI:218617 - 7-deacetylpyripyropene A

ChEBI IDCHEBI:218617
ChEBI Name7-deacetylpyripyropene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO9
Net Charge0
Average Mass541.597
Monoisotopic Mass541.23118
SMILESCC(=O)OC[C@@]1(C)[C@@H]2C[C@H](O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O
InChIInChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-21(33)29(5)25(27(20,3)9-8-22(28)37-16(2)32)24(34)23-19(39-29)11-18(38-26(23)35)17-7-6-10-30-13-17/h6-7,10-11,13,20-22,24-25,33-34H,8-9,12,14H2,1-5H3/t20-,21+,22+,24+,25-,27+,28+,29-/m1/s1
InChIKeyLGGJSHGJCMYMKU-CALNWBCTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (26771621)
ChEBI Ontology
Outgoing Relation(s)
7-deacetylpyripyropene A (CHEBI:218617) is a steroid lactone (CHEBI:26766)
IUPAC Name 
[(1S,2S,5S,6R,7R,9S,10S,18R)-5-acetyloxy-9,18-dihydroxy-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
8432279ChemSpider