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senecionine

Properties

Image

Occurences in reactions

MNX_ID

MNXM3358

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₈H₂₆NO₅

charge

mass

336.40278

reference

chebi:77617

InChIKey

HKODIGSRFALUTA-JTLQZVBZSA-O

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/p+1/b12-4-/t11-,14-,15-,18-/m1/s1

SMILES

C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@H](OC1=O)[C@@H]23

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77617 chebi:77617	senecionine 12-hydroxy-11,16-dioxosenecionan-4-ium senecionine cation senecionine(1+)
kegg.compound:C06176 keggC:C06176	Senecionine
seed.compound:cpd03686 seedM:cpd03686	Senecionine senecionine
metacyc.compound:CPD-8986 metacycM:CPD-8986	senecionine
CHEBI:9107 chebi:9107	senecionine 12-hydroxysenecionan-11,16-dione Senecionin Senecionine aureine
keggC:M_C06176 seedM:M_cpd03686	secondary/obsolete/fantasy identifier