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CHEBI:206140 - 1-deacetylpyripyropene A

ChEBI IDCHEBI:206140
ChEBI Name1-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](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-22(37-16(2)32)29(5)25(27(20,3)9-8-21(28)33)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
InChIKeyMVFSPKMJAQERAO-CALNWBCTSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (27804218)
ChEBI Ontology
Outgoing Relation(s)
1-deacetylpyripyropene A (CHEBI:206140) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
[(1S,2S,5S,6R,7R,9S,10S,18R)-9-acetyloxy-5,18-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
61362071ChemSpider