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CHEBI:198238 - Fomlactone A

Default Structure
ChEBI IDCHEBI:198238
ChEBI NameFomlactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O5
Net Charge0
Average Mass526.758
Monoisotopic Mass526.36582
SMILESCC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@@H]2[C@H](C)C[C@@]4(OC(=O)[C@@H](C)[C@@H]4C)O[C@H](C3)[C@]21C
InChIInChI=1S/C33H50O5/c1-18-17-33(20(3)19(2)28(35)38-33)37-27-16-24-23(31(8)15-12-22(18)32(27,31)9)10-11-25-29(5,6)26(36-21(4)34)13-14-30(24,25)7/h18-20,22,25-27H,10-17H2,1-9H3/t18-,19+,20+,22-,25+,26-,27-,30-,31+,32+,33+/m1/s1
InChIKeySGSMRLJTYJLFMA-FPOLEOGZSA-N
Species of MetaboliteComponentSourceComments
Rhodofomes cajanderi (ncbitaxon:2066993) - PubMed (14510609)
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)
Fomlactone A (CHEBI:198238) is a withanolide (CHEBI:74716)
IUPAC Name 
[(1S,3'S,4'S,5R,7R,10S,13R,15S,17R,18R,21R)-1,3',4',6,6,10,17,21-octamethyl-5'-oxospiro[14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicos-2(11)-ene-15,2'-oxolane]-7-yl] acetate
Manual XrefsDatabases
9246622ChemSpider