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CHEBI:190599 - 3,14-Dihydroxycarda-5,20(22)-dienolide

ChEBI IDCHEBI:190599
ChEBI Name3,14-Dihydroxycarda-5,20(22)-dienolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILESC[C@]12CC[C@H](O)CC1=CCC1C2CC[C@]2(C)C(C3=CC(=O)OC3)CC[C@]12O
InChIInChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h3,11,16-19,24,26H,4-10,12-13H2,1-2H3/t16-,17?,18?,19?,21-,22+,23-/m0/s1
InChIKeyZICGJBPBLVXOBM-GPCBFVFRSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
3,14-Dihydroxycarda-5,20(22)-dienolide (CHEBI:190599) is a steroid lactone (CHEBI:26766)
IUPAC Name 
3-[(3S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
10071ChemSpider