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CHEBI:224962 - Astrakurkurone

Default Structure
ChEBI IDCHEBI:224962
ChEBI NameAstrakurkurone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O3
Net Charge0
Average Mass470.738
Monoisotopic Mass470.37600
SMILESC[C@H]1CC[C@](C)([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)OC1=O
InChIInChI=1S/C31H50O3/c1-19-11-18-31(8,34-26(19)33)20(2)21-12-16-30(7)23-9-10-24-27(3,4)25(32)14-15-28(24,5)22(23)13-17-29(21,30)6/h19-21,24-25,32H,9-18H2,1-8H3/t19-,20-,21+,24-,25-,28+,29+,30-,31+/m0/s1
InChIKeyYSVFUMBQSKJOIN-VKPGBLCESA-N
Species of MetaboliteComponentSourceComments
Astraeus hygrometricus (ncbitaxon:150782) - PubMed (22899612)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Astrakurkurone (CHEBI:224962) is a withanolide (CHEBI:74716)
IUPAC Name 
(3S,6R)-6-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,6-dimethyloxan-2-one
Manual XrefsDatabases
78438299ChemSpider