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CHEBI:211024 - Ganosinensin B

ChEBI IDCHEBI:211024
ChEBI NameGanosinensin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H72O9
Net Charge0
Average Mass829.128
Monoisotopic Mass828.51763
SMILESCC(=CCCC(C)=CCC/C(=C/C(=O)c1cc(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/C51H72O9/c1-32(12-10-14-33(2)30-52)13-11-15-35(28-42(56)37-29-36(54)17-19-41(37)55)46(58)60-45(51(9,59)31-53)21-16-34(3)38-22-26-50(8)40-18-20-43-47(4,5)44(57)24-25-48(43,6)39(40)23-27-49(38,50)7/h13-14,17-19,23,28-29,34,38,43,45,52-55,59H,10-12,15-16,20-22,24-27,30-31H2,1-9H3/b32-13?,33-14?,35-28-/t34-,38-,43+,45+,48-,49-,50+,51?/m1/s1
InChIKeyUDYMSQQWPPCJJI-PTQUBOABSA-N
Species of MetaboliteComponentSourceComments
Ganoderma sinense (ncbitaxon:36075) - PubMed (19331378)
ChEBI Ontology
Outgoing Relation(s)
Ganosinensin B (CHEBI:211024) 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)-2-oxoethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate