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CHEBI:215993 - Ganoleucoin R

Default Structure
ChEBI IDCHEBI:215993
ChEBI NameGanoleucoin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
SMILESC[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O
InChIInChI=1S/C30H44O8/c1-15(9-17(32)10-16(2)26(37)38)18-11-23(36)30(6)25-19(33)12-21-27(3,8-7-22(35)28(21,4)14-31)24(25)20(34)13-29(18,30)5/h15-16,18-19,21,23,31,33,36H,7-14H2,1-6H3,(H,37,38)/t15-,16-,18-,19+,21-,23+,27+,28+,29-,30+/m1/s1
InChIKeyLULWEHRQZGLNFK-SOPBJWMHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma leucocontextum (ncbitaxon:1566825) - PubMed (29603608)
ChEBI Ontology
Outgoing Relation(s)
Ganoleucoin R (CHEBI:215993) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,6R)-6-[(4R,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid