CHEBI:9951 - veratramine

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ChEBI Name veratramine
ChEBI ID CHEBI:9951
Definition A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H39NO2
Net Charge 0
Average Mass 409.60410
Monoisotopic Mass 409.29808
InChI InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
InChIKey MALFODICFSIXPO-KFKQDBFTSA-N
SMILES [H][C@]1(NC[C@@H](C)C[C@H]1O)[C@@H](C)c1ccc2c(C[C@@]3([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]32C)c1C
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 veratramine (CHEBI:9951) has parent hydride veratraman (CHEBI:36374)
veratramine (CHEBI:9951) is a piperidine alkaloid (CHEBI:26147)
IUPAC Name
(3β,23R)-14,15,16,17-tetradehydroveratraman-3,23-diol
Synonyms Sources
(3β,23β)-14,15,16,17-tetradehydroveratraman-3,23-diol ChemIDplus
Veratramine KEGG COMPOUND
Manual Xrefs Databases
C00002270 KNApSAcK
C10829 KEGG COMPOUND
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Registry Numbers Types Sources
55515 Beilstein Registry Number Beilstein
55515 Reaxys Registry Number Reaxys
60-70-8 CAS Registry Number ChemIDplus
Last Modified
28 July 2014