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CHEBI:223814 - Xylabisboein B

ChEBI IDCHEBI:223814
ChEBI NameXylabisboein B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@@]12CCO[C@@H]1C1=CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)O)[C@H]1CC2
InChIInChI=1S/C20H30O3/c1-18-10-7-14-13(16(18)23-12-11-18)5-6-15-19(14,2)8-4-9-20(15,3)17(21)22/h5,14-16H,4,6-12H2,1-3H3,(H,21,22)/t14-,15+,16+,18+,19+,20-/m0/s1
InChIKeyDEMSUUWQFMQINV-QWFGBESBSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tetlet.2015.06.022)
ChEBI Ontology
Outgoing Relation(s)
Xylabisboein B (CHEBI:223814) is a steroid acid (CHEBI:47891)
IUPAC Name 
(3aS,5aR,6S,9aR,9bR,11aR)-6,9a,11a-trimethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzouran-6-carboxylic acid
Manual XrefsDatabases
78437732ChemSpider