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CHEBI:218129 - Ganoleucoin Y

Default Structure
ChEBI IDCHEBI:218129
ChEBI NameGanoleucoin Y
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50O12
Net Charge0
Average Mass674.784
Monoisotopic Mass674.33023
SMILESCC(=CCC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1CC3=O)C(=O)O
InChIInChI=1S/C36H50O12/c1-18(9-8-10-19(2)31(45)46)20-13-24(39)36(7)27-21(37)14-22-33(4,28(27)29(43)30(44)35(20,36)6)12-11-23(38)34(22,5)17-48-26(42)16-32(3,47)15-25(40)41/h10,18,20,22-23,30,38,44,47H,8-9,11-17H2,1-7H3,(H,40,41)(H,45,46)/t18-,20-,22-,23+,30-,32+,33+,34-,35+,36+/m1/s1
InChIKeyLOMAZNWIDBIYLW-UXLUFUOLSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (30145334)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin Y (CHEBI:218129) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-6-[(3S,4S,5R,10S,12S,13R,14R,17R)-4-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-3,12-dihydroxy-4,10,13,14-tetramethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid