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CHEBI:217371 - Colobetaolactone III

Default Structure
ChEBI IDCHEBI:217371
ChEBI NameColobetaolactone III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O4
Net Charge0
Average Mass482.705
Monoisotopic Mass482.33961
SMILESCO[C@H]1O[C@H]2CC[C@@]13C1=C(CC[C@H]3C2(C)C)[C@]2(C)CC[C@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)[C@@]2(C)CC1
InChIInChI=1S/C31H46O4/c1-18-8-10-23(34-26(18)32)19(2)20-12-15-30(6)21-9-11-24-28(3,4)25-14-17-31(24,27(33-7)35-25)22(21)13-16-29(20,30)5/h8,19-20,23-25,27H,9-17H2,1-7H3/t19-,20+,23+,24-,25-,27-,29+,30-,31-/m0/s1
InChIKeyIFLVEWDKEALXIO-PHKMFKKMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (18451550)
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)
Colobetaolactone III (CHEBI:217371) is a withanolide (CHEBI:74716)
IUPAC Name 
(2R)-2-[(1S)-1-[(1R,5R,6R,9R,13S,15S,17S)-17-methoxy-5,9,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadec-2(10)-en-6-yl]ethyl]-5-methyl-2,3-dihydropyran-6-one