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CHEBI:206325 - Fomitoside G

Default Structure
ChEBI IDCHEBI:206325
ChEBI NameFomitoside G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O8
Net Charge0
Average Mass644.890
Monoisotopic Mass644.42882
SMILESC=C(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)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C38H60O8/c1-21(2)22(3)10-11-24(33(42)46-32-31(41)28(40)20-44-34(32)43)25-14-18-38(9)27-12-13-29-35(5,6)30(45-23(4)39)16-17-36(29,7)26(27)15-19-37(25,38)8/h21,24-25,28-32,34,40-41,43H,3,10-20H2,1-2,4-9H3/t24-,25-,28-,29+,30-,31+,32-,34-,36-,37-,38+/m1/s1
InChIKeyIRTJPOGBPFQTLQ-YJZGRZCNSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - PubMed (15679320)
ChEBI Ontology
Outgoing Relation(s)
Fomitoside G (CHEBI:206325) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R)-2-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate
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78437864ChemSpider