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CHEBI:218091 - Ganoleucoin AA

Default Structure
ChEBI IDCHEBI:218091
ChEBI NameGanoleucoin AA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O9
Net Charge0
Average Mass570.679
Monoisotopic Mass570.28288
SMILESCC(=O)O[C@H]1[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C(=O)O)CC(=O)[C@@]2(C)C2=C3[C@]4(C)C(CC2=O)[C@@](C)(CO)C(=O)CC4[C@@]31O
InChIInChI=1S/C32H42O9/c1-15(9-8-10-16(2)26(38)39)18-11-23(37)31(7)24-19(35)12-20-28(4,14-33)22(36)13-21-29(20,5)25(24)32(21,40)27(30(18,31)6)41-17(3)34/h10,15,18,20-21,27,33,40H,8-9,11-14H2,1-7H3,(H,38,39)/t15-,18-,20?,21?,27+,28-,29-,30+,31+,32-/m1/s1
InChIKeyALIBLFYUASRDET-TVSZDTPLSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (30145334)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin AA (CHEBI:218091) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-6-[(2R,6S,11R,14R,15R,16S,17R)-16-acetyloxy-17-hydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-5,9,12-trioxo-14-pentacyclo[8.7.0.02,7.03,17.011,15]heptadec-1(10)-enyl]-2-methylhept-2-enoic acid