CHEBI:181729 - 19-Acetyltabersonine

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ChEBI Name 19-Acetyltabersonine
ChEBI ID CHEBI:181729
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H26N2O4
Net Charge 0
Average Mass 394.471
Monoisotopic Mass 394.18926
InChI InChI=1S/C23H26N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-9,14,21,24H,10-13H2,1-3H3/t14-,21+,22+,23+/m1/s1
InChIKey YBXUUELSZBVEKX-HZTRNQAASA-N
SMILES O([C@@H]([C@@]12[C@@]3(N(CC[C@]34C(NC=5C4=CC=CC5)=C(C1)C(OC)=O)CC=C2)[H])C)C(=O)C
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 19-Acetyltabersonine (CHEBI:181729) is a alkaloid (CHEBI:22315)
IUPAC Name
methyl (1R,12S,19R)-12-[(1R)-1-acetyloxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Manual Xref Database
28503947 ChemSpider
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