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

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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 (3beta,9xi)-3,14-Dihydroxycarda-5,20(22)-dienolide
ChEBI ID CHEBI:183342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O4
Net Charge 0
Average Mass 372.505
Monoisotopic Mass 372.23006
InChI InChI=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
InChIKey ZICGJBPBLVXOBM-XDZGWQDMSA-N
SMILES O[C@@]12[C@@]([C@H](CC1)C=3COC(=O)C3)(CCC4[C@]2(CC=C5[C@@]4(CC[C@H](O)C5)C)[H])C
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xref Database
22913912 ChemSpider
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