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CHEBI:225665 - Fomitopsin C

Default Structure
ChEBI IDCHEBI:225665
ChEBI NameFomitopsin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O7
Net Charge0
Average Mass570.767
Monoisotopic Mass570.35565
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](OC(=O)CC(=O)O)CC[C@]34C)[C@]3(C)CC[C@H]1[C@@]23C
InChIInChI=1S/C34H50O7/c1-18-17-34(20(3)19(2)29(38)41-34)40-26-15-23-22(32(7)14-11-21(18)33(26,32)8)9-10-24-30(4,5)25(12-13-31(23,24)6)39-28(37)16-27(35)36/h18-21,24-26H,9-17H2,1-8H3,(H,35,36)/t18-,19-,20-,21-,24+,25-,26-,31-,32+,33+,34+/m1/s1
InChIKeyCBRBLDIHLMPBCF-UJIWJRMISA-N
Species of MetaboliteComponentSourceComments
Niveoporofomesspeciesaguei (ncbitaxon:270280) - PubMed (16002106)
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)
Fomitopsin C (CHEBI:225665) is a withanolide (CHEBI:74716)
IUPAC Name 
3-[(1S,3'R,4'R,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]oxy-3-oxopropanoic acid
Manual XrefsDatabases
78437788ChemSpider