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CHEBI:183342 - (3beta,9xi)-3,14-Dihydroxycarda-5,20(22)-dienolide

ChEBI IDCHEBI:183342
ChEBI Name(3beta,9xi)-3,14-Dihydroxycarda-5,20(22)-dienolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@]1(C)[C@@H](C3=CC(=O)OC3)CC[C@]21O
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-XDZGWQDMSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
(3beta,9xi)-3,14-Dihydroxycarda-5,20(22)-dienolide (CHEBI:183342) is a steroid lactone (CHEBI:26766)
IUPAC Name 
3-[(3S,8R,10R,13R,14S,17R)-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
22913912ChemSpider