EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:199572 - Ganosinoside A

Default Structure
ChEBI IDCHEBI:199572
ChEBI NameGanosinoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O8
Net Charge0
Average Mass616.836
Monoisotopic Mass616.39752
SMILESCC(C)=CCC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
InChIInChI=1S/C36H56O8/c1-20(2)9-8-10-21(31(42)44-32-30(41)29(40)28(39)25(19-37)43-32)22-13-17-36(7)24-11-12-26-33(3,4)27(38)15-16-34(26,5)23(24)14-18-35(22,36)6/h9,21-22,25-26,28-30,32,37,39-41H,8,10-19H2,1-7H3/t21-,22-,25-,26?,28-,29+,30-,32+,34-,35-,36+/m1/s1
InChIKeyFDBJWQHOGLAJOW-GLONDKPASA-N
Species of MetaboliteComponentSourceComments
Ganoderma sinense (ncbitaxon:36075) - PubMed (22161763)
ChEBI Ontology
Outgoing Relation(s)
Ganosinoside A (CHEBI:199572) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-6-methyl-2-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoate
Manual XrefsDatabases
78440779ChemSpider