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CHEBI:208847 - Fomitoside B

Default Structure
ChEBI IDCHEBI:208847
ChEBI NameFomitoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O8
Net Charge0
Average Mass602.809
Monoisotopic Mass602.38187
SMILESC=C(C)[C@@H](O)CC[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/C35H54O8/c1-19(2)24(36)10-8-20(30(40)43-29-28(39)25(37)18-42-31(29)41)21-12-16-35(7)23-9-11-26-32(3,4)27(38)14-15-33(26,5)22(23)13-17-34(21,35)6/h20-21,24-26,28-29,31,36-37,39,41H,1,8-18H2,2-7H3/t20-,21-,24+,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
InChIKeyMDOFKFYGVBTDAC-RSWXTIEXSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - PubMed (15679320)
ChEBI Ontology
Outgoing Relation(s)
Fomitoside B (CHEBI:208847) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R,5S)-5-hydroxy-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-6-enoate
Manual XrefsDatabases
78437375ChemSpider