EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216070 - 1,7,11-trideacetyl-pyripyropene A

ChEBI IDCHEBI:216070
ChEBI Name1,7,11-trideacetyl-pyripyropene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO7
Net Charge0
Average Mass457.523
Monoisotopic Mass457.21005
SMILESC[C@]12CC[C@H](O)[C@@](C)(CO)[C@@H]1C[C@H](O)[C@@]1(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]21
InChIInChI=1S/C25H31NO7/c1-23-7-6-17(28)24(2,12-27)16(23)10-18(29)25(3)21(23)20(30)19-15(33-25)9-14(32-22(19)31)13-5-4-8-26-11-13/h4-5,8-9,11,16-18,20-21,27-30H,6-7,10,12H2,1-3H3/t16-,17+,18+,20+,21-,23+,24+,25-/m1/s1
InChIKeyLGPIKYUOVSTCHV-BGXNMNLRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri NRRL 181 (ncbitaxon:331117) - PubMed (30366473)
ChEBI Ontology
Outgoing Relation(s)
1,7,11-trideacetyl-pyripyropene A (CHEBI:216070) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(1S,2S,5S,6R,7R,9S,10S,18R)-5,9,18-trihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-16-one