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CHEBI:216006 - Fomefficinol B

Default Structure
ChEBI IDCHEBI:216006
ChEBI NameFomefficinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O6
Net Charge0
Average Mass516.719
Monoisotopic Mass516.34509
SMILESC[C@@H]1C[C@@]2(OC(=O)[C@@H](C)[C@@H]2C)O[C@@H]2C[C@H]3[C@@H](CC[C@H]4C(C)(C)[C@H](O)C[C@@H](O)[C@]34C)[C@]3(C)C(=O)C[C@H]1[C@@]23C
InChIInChI=1S/C31H48O6/c1-15-14-31(17(3)16(2)26(35)37-31)36-25-12-20-18(29(7)24(34)11-19(15)30(25,29)8)9-10-21-27(4,5)22(32)13-23(33)28(20,21)6/h15-23,25,32-33H,9-14H2,1-8H3/t15-,16+,17+,18-,19-,20+,21+,22-,23-,25-,28-,29-,30+,31+/m1/s1
InChIKeyREYDUJKYCGUWEE-ARVUAJLDSA-N
Species of MetaboliteComponentSourceComments
Fomes (ncbitaxon:40441) - PubMed (19182411)
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)
Fomefficinol B (CHEBI:216006) is a withanolide (CHEBI:74716)
IUPAC Name 
(1S,2R,3'S,4'S,5S,7R,9R,10R,11S,13R,15S,17R,18R,21R)-7,9-dihydroxy-1,3',4',6,6,10,17,21-octamethylspiro[14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicosane-15,5'-oxolane]-2',20-dione
Manual XrefsDatabases
78438105ChemSpider