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CHEBI:212674 - Fomlactone B

Default Structure
ChEBI IDCHEBI:212674
ChEBI NameFomlactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
SMILESC[C@@H]1C[C@@]2(OC(=O)[C@@H](C)[C@@H]2C)O[C@@H]2CC3=C(CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]3(C)CC[C@H]1[C@@]23C
InChIInChI=1S/C31H48O4/c1-17-16-31(19(3)18(2)26(33)35-31)34-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32H,9-16H2,1-8H3/t17-,18+,19+,20-,23+,24-,25-,28-,29+,30+,31+/m1/s1
InChIKeyLSGLUPXTGXDHCT-ZBAFWHTDSA-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 B (CHEBI:212674) is a withanolide (CHEBI:74716)
IUPAC Name 
(1S,3'S,4'S,5R,7R,10S,13R,15S,17R,18R,21R)-7-hydroxy-1,3',4',6,6,10,17,21-octamethylspiro[14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicos-2(11)-ene-15,5'-oxolane]-2'-one
Manual XrefsDatabases
10001646ChemSpider