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CHEBI:218110 - Ganoleucoin V

Default Structure
ChEBI IDCHEBI:218110
ChEBI NameGanoleucoin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O9
Net Charge0
Average Mass544.641
Monoisotopic Mass544.26723
SMILESCC(=CCC(O)C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)[C@](C)(CO)[C@@H]1CC3=O)C(=O)O
InChIInChI=1S/C30H40O9/c1-14(26(38)39)7-8-17(32)15(2)16-11-21(35)30(6)22-18(33)12-19-27(3,10-9-20(34)28(19,4)13-31)23(22)24(36)25(37)29(16,30)5/h7,15-17,19,25,31-32,37H,8-13H2,1-6H3,(H,38,39)/t15?,16-,17?,19-,25-,27+,28-,29+,30+/m1/s1
InChIKeyUHLCOARQXDMCKI-SEJXEQBJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (30145334)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin V (CHEBI:218110) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5-hydroxy-6-[(4S,5R,10S,12S,13R,14R,17R)-12-hydroxy-4-(hydroxymethyl)-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