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CHEBI:223908 - Ganoleucoin L

Default Structure
ChEBI IDCHEBI:223908
ChEBI NameGanoleucoin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48O11
Net Charge0
Average Mass656.769
Monoisotopic Mass656.31966
SMILESC/C(=C\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H]1CC3=O)C(=O)O
InChIInChI=1S/C36H48O11/c1-19(9-8-10-20(2)31(44)45)21-13-26(40)36(7)30-22(37)14-24-33(4,29(30)23(38)15-35(21,36)6)12-11-25(39)34(24,5)18-47-28(43)17-32(3,46)16-27(41)42/h10,19,21,24,46H,8-9,11-18H2,1-7H3,(H,41,42)(H,44,45)/b20-10+/t19-,21-,24-,32+,33+,34+,35-,36+/m1/s1
InChIKeyUTHBIXXKXDUNGA-HNFDVGSYSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (26287401)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin L (CHEBI:223908) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(4R,5R,10S,13R,14R,17R)-4-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-4,10,13,14-tetramethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
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59000646ChemSpider