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CHEBI:189388 - Me lucidenate N

Default Structure
ChEBI IDCHEBI:189388
ChEBI NameMe lucidenate N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O6
Net Charge0
Average Mass474.638
Monoisotopic Mass474.29814
SMILES[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@@]4(C)[C@@]3(C)C(=O)C[C@]4([H])[C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C28H42O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-17,19-20,29,31H,8-14H2,1-7H3/t15-,16-,17+,19+,20+,26+,27-,28+/m1/s1
InChIKeyIURJGJVSAQSDJJ-MDNRWGJGSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Me lucidenate N (CHEBI:189388) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Manual XrefsDatabases
28288056ChemSpider