CHEBI:202301 - Ganoleuconin N

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Ganoleuconin N
ChEBI ID CHEBI:202301
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H74O7
Net Charge 0
Average Mass 799.146
Monoisotopic Mass 798.54345
InChI InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
InChIKey XTKNDUKCUUVUEV-WYQVCHQDSA-N
SMILES O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC[C@H](OC(=O)/C(=C\CC5=C(O)C=CC(=C5)O)/CC/C=C(/CCC=C(C)C)\C)[C@](O)(CO)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Metabolite of Species Details
Ganoderma leucocontextum (NCBI:txid1566825) See: PubMed
ChEBI Ontology
Outgoing Ganoleuconin N (CHEBI:202301) is a triterpenoid (CHEBI:36615)
IUPAC Name
[(2R,3S,6R)-1,2-dihydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] (2Z,5E)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-6,10-dimethylundeca-5,9-dienoate
Manual Xref Database
59000648 ChemSpider
View more database links