CHEBI:203426 - Fomitoside C

ChEBI IDCHEBI:203426
ChEBI NameFomitoside C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O7
Net Charge0
Average Mass586.810
Monoisotopic Mass586.38695
SMILESCC(C)=CCC[C@@H](C(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(39)42-29-28(38)25(36)19-41-31(29)40)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38,40H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
InChIKeyCGKSRSYGEXOCNN-WQWZUKFYSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - PubMed (15679320)
ChEBI Ontology
Outgoing Relation(s)
Fomitoside C (CHEBI:203426) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoate
Manual XrefsDatabases
78437010ChemSpider