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CHEBI:230485 - dihydroprecondylocarpine acetate (enamine form)

ChEBI IDCHEBI:230485
ChEBI Namedihydroprecondylocarpine acetate (enamine form)
Stars
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H29N2O4
Net Charge+1
Average Mass397.495
Monoisotopic Mass397.21218
SMILES[H][C@]12CC[NH+](C=C1CC)CCc1c(nc3ccccc13)[C@@]2(COC(C)=O)C(=O)OC
InChIInChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h5-8,13,19,24H,4,9-12,14H2,1-3H3/p+1/t19-,23-/m0/s1
InChIKeyOTBAOEPNAGWHCY-CVDCTZTESA-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)
dihydroprecondylocarpine acetate (enamine form) (CHEBI:230485) is a acetate ester (CHEBI:47622)
dihydroprecondylocarpine acetate (enamine form) (CHEBI:230485) is a methyl ester (CHEBI:25248)
dihydroprecondylocarpine acetate (enamine form) (CHEBI:230485) is a monoterpenoid indole alkaloid (CHEBI:65323)
dihydroprecondylocarpine acetate (enamine form) (CHEBI:230485) is a organic cation (CHEBI:25697)
dihydroprecondylocarpine acetate (enamine form) (CHEBI:230485) is a organic heterotetracyclic compound (CHEBI:38163)
UniProt Name  Source
dihydroprecondylocarpine acetate (enamine form)UniProt
Manual XrefsDatabases
CPD-21549MetaCyc