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CHEBI:35542 - 5β-cardanolide

ChEBI IDCHEBI:35542
ChEBI Name5β-cardanolide
Stars
ASCII Name5beta-cardanolide
Last Modified17 January 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H36O2
Net Charge0
Average Mass344.539
Monoisotopic Mass344.27153
SMILES[H][C@@]1([C@@]2([H])CC[C@]3([H])[C@]4([H])CC[C@]5([H])CCCC[C@]5(C)[C@@]4([H])CC[C@]23C)COC(=O)C1
InChIInChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16-,17-,18+,19+,20-,22-,23+/m0/s1
InChIKeyAQARKTASOBROAE-KPSWSRIPSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-cardanolide (CHEBI:35542) is a cardanolide (CHEBI:35543)
Incoming Relation(s)
cardanolide glycoside (CHEBI:59029) has functional parent 5β-cardanolide (CHEBI:35542)
strophanthidin (CHEBI:38178) has functional parent 5β-cardanolide (CHEBI:35542)
3-epi-digoxigenin (CHEBI:63497) has parent hydride 5β-cardanolide (CHEBI:35542)
adonitoxigenin (CHEBI:46615) has parent hydride 5β-cardanolide (CHEBI:35542)
antiogenin (CHEBI:38405) has parent hydride 5β-cardanolide (CHEBI:35542)
bipindogenin (CHEBI:38243) has parent hydride 5β-cardanolide (CHEBI:35542)
cannogenin (CHEBI:38148) has parent hydride 5β-cardanolide (CHEBI:35542)
diginatigenin (CHEBI:38095) has parent hydride 5β-cardanolide (CHEBI:35542)
digitoxigenin (CHEBI:42219) has parent hydride 5β-cardanolide (CHEBI:35542)
digoxigenin (CHEBI:42098) has parent hydride 5β-cardanolide (CHEBI:35542)
gitoxigenin (CHEBI:38105) has parent hydride 5β-cardanolide (CHEBI:35542)
ouabagenin (CHEBI:71016) has parent hydride 5β-cardanolide (CHEBI:35542)
sarmentogenin (CHEBI:37665) has parent hydride 5β-cardanolide (CHEBI:35542)
sarmentologenin (CHEBI:71625) has parent hydride 5β-cardanolide (CHEBI:35542)
IUPAC Name 
5β-cardanolide