CHEBI:230485 - dihydroprecondylocarpine acetate (enamine form)

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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 dihydroprecondylocarpine acetate (enamine form)
ChEBI ID CHEBI:230485
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
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Formula C23H29N2O4
Net Charge +1
Average Mass 397.494
Monoisotopic Mass 397.21218
InChI InChI=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
InChIKey OTBAOEPNAGWHCY-CVDCTZTESA-O
SMILES C12=C(C=CC=C1)NC=3[C@]([C@@]4(C(=C[NH+](CC4)CCC32)CC)[H])(C(=O)OC)COC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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)
Synonym Source
dihydroprecondylocarpine acetate (enamine form) UniProt
Manual Xref Database
CPD-21549 MetaCyc accession
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