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CHEBI:202301 - Ganoleuconin N

Default Structure
ChEBI IDCHEBI:202301
ChEBI NameGanoleuconin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74O7
Net Charge0
Average Mass799.146
Monoisotopic Mass798.54345
SMILESCC(C)=CCC/C(C)=C/CC/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
InChIInChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
InChIKeyXTKNDUKCUUVUEV-WYQVCHQDSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (26287401)
ChEBI Ontology
Outgoing Relation(s)
Ganoleuconin N (CHEBI:202301) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R,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,5E)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate
Manual XrefsDatabases
59000648ChemSpider