CHEBI:199572 - Ganosinoside A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ganosinoside A
ChEBI ID CHEBI:199572
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H56O8
Net Charge 0
Average Mass 616.836
Monoisotopic Mass 616.39752
InChI InChI=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
InChIKey FDBJWQHOGLAJOW-GLONDKPASA-N
SMILES O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)CCC=C(C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Metabolite of Species Details
Ganoderma sinense (NCBI:txid36075) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78440779 ChemSpider
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