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CHEBI:199561 - Ganoleucoin K

Default Structure
ChEBI IDCHEBI:199561
ChEBI NameGanoleucoin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48O12
Net Charge0
Average Mass672.768
Monoisotopic Mass672.31458
SMILESC/C(=C\CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@H](O)[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/C36H48O12/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/h10,18,20,22,30,44,47H,8-9,11-17H2,1-7H3,(H,40,41)(H,45,46)/b19-10+/t18-,20-,22-,30+,32+,33+,34+,35+,36+/m1/s1
InChIKeyKQPHEVLEJQGFTM-JSMRCVIMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (26287401)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin K (CHEBI:199561) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(4R,5R,10S,12R,13R,14R,17R)-4-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-12-hydroxy-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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59000458ChemSpider