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CHEBI:216000 - Ganoleucoin S

Default Structure
ChEBI IDCHEBI:216000
ChEBI NameGanoleucoin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILESC=C(CC(O)/C=C(/C)C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
InChIInChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,17-19,21,23,31-32,35H,1,8-10,12-14H2,2-7H3,(H,36,37)/b16-11-/t17?,18-,19+,21+,23+,28+,29-,30+/m1/s1
InChIKeyABBJCZDQCWRNMS-INXFJSGSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (29603608)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin S (CHEBI:216000) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2Z)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhepta-2,6-dienoic acid