Senecionine

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Systematic / IUPAC Name: (15Z)-12-Hydroxysenecionan-11,16-dione

ID: Reference2248

Other Names: Aureine;
Senecionin;
Integerrimine;
Intergerrimine;
Squalidine

Formula: C18H25NO5

Class: Endogenous Metabolites Natural Toxins Natural Products/Medicines

Spectral Data

Senecionine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/22/2015 8:07:32 AM
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Identificators

InChI InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
InChI Key HKODIGSRFALUTA-JTLQZVBZSA-N
Canonical SMILES CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C
CAS 130018
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Other Names Aureine;
Senecionin;
Integerrimine;
Intergerrimine;
Squalidine;
Senecionan-11,16-dione, 12-hydroxy-

In Other Databases

ChEMBL CHEMBL362153
ChemSpider 10254883
Wikipedia Senecionine
ChEBI CHEBI:9107
KEGG C06176