EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216754 - 20(21)-dehydrolucidenic acid A

ChEBI IDCHEBI:216754
ChEBI Name20(21)-dehydrolucidenic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESC=C(CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
InChIInChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h15-16,18,28H,1,7-13H2,2-6H3,(H,32,33)/t15-,16+,18+,25+,26-,27+/m1/s1
InChIKeyAPMICFQMLNFXRZ-LIFSRMHQSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (15844948)
ChEBI Ontology
Outgoing Relation(s)
20(21)-dehydrolucidenic acid A (CHEBI:216754) is a 11-oxo steroid (CHEBI:47787)
IUPAC Name 
4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pent-4-enoic acid
Manual XrefsDatabases
9514993ChemSpider