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CHEBI:200103 - Xylabisboein A

ChEBI IDCHEBI:200103
ChEBI NameXylabisboein A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC[C@@]12CCO[C@@H]1C1=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@](C)([C@@H]34)[C@H]1CC2
InChIInChI=1S/C20H28O3/c1-18-8-5-13-12(16(18)22-10-9-18)11-14-15-19(13,2)6-4-7-20(15,3)17(21)23-14/h11,13-16H,4-10H2,1-3H3/t13-,14+,15+,16+,18+,19+,20-/m0/s1
InChIKeyFDEWWBNPZIPEPY-GYNABYOXSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tetlet.2015.06.022)
ChEBI Ontology
Outgoing Relation(s)
Xylabisboein A (CHEBI:200103) is a oxa-steroid (CHEBI:50917)
IUPAC Name 
(1R,2R,5R,9S,12R,15S,19R)-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one
Manual XrefsDatabases
78436581ChemSpider