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CHEBI:141951 - 20'-episerpentinine

ChEBI IDCHEBI:141951
ChEBI Name20'-episerpentinine
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC42H45N4O5
Net Charge+1
Average Mass685.845
Monoisotopic Mass685.33845
SMILES[H][C@@]12C[C@]([H])([C@]([H])(Cc3cn4c(c5nc6ccccc6c3-5)C[C@]3([H])C(C(=O)OC)=CO[C@@H](C)[C@]3([H])C4)C(=O)OC)/C(=C\C)CN1CCC1=C2[NH2+]c2ccccc21
InChIInChI=1S/C42H44N4O5/c1-5-24-19-45-15-14-27-26-10-6-8-12-34(26)43-39(27)36(45)17-29(24)31(41(47)49-3)16-25-20-46-21-32-23(2)51-22-33(42(48)50-4)30(32)18-37(46)40-38(25)28-11-7-9-13-35(28)44-40/h5-13,20,22-23,29-32,36,43H,14-19,21H2,1-4H3/p+1/b24-5-/t23-,29-,30-,31-,32-,36-/m0/s1
InChIKeyQWAUBSSAJRGKPX-ZGDAPFEZSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
20'-episerpentinine (CHEBI:141951) is a monoterpenoid indole alkaloid (CHEBI:65323)