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CHEBI:198561 - Ganosinensin C

ChEBI IDCHEBI:198561
ChEBI NameGanosinensin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74O8
Net Charge0
Average Mass815.145
Monoisotopic Mass814.53837
SMILESCC(=CCCC(C)=CCC/C(=C/Cc1cc(O)ccc1O)C(=O)O[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(O)CO)CO
InChIInChI=1S/C51H74O8/c1-33(12-10-14-34(2)31-52)13-11-15-36(17-18-37-30-38(54)19-21-42(37)55)46(57)59-45(51(9,58)32-53)23-16-35(3)39-24-28-50(8)41-20-22-43-47(4,5)44(56)26-27-48(43,6)40(41)25-29-49(39,50)7/h13-14,17,19-21,25,30,35,39,43,45,52-55,58H,10-12,15-16,18,22-24,26-29,31-32H2,1-9H3/b33-13?,34-14?,36-17-/t35-,39-,43+,45+,48-,49-,50+,51?/m1/s1
InChIKeyXESIYWREAFIQIZ-SXGQFMPGSA-N
Species of MetaboliteComponentSourceComments
Ganoderma sinense (ncbitaxon:36075) - PubMed (19331378)
ChEBI Ontology
Outgoing Relation(s)
Ganosinensin C (CHEBI:198561) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
[(3S,6R)-1,2-dihydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] (2Z)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate