Feedback

strictosidine aglycone

Properties

Image

Occurences in reactions

MNX_ID

MNXM3362

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₂₁H₂₅N₂O₄

charge

mass

369.18088

reference

chebi:58012

InChIKey

HXLWDALZXJIPSY-LPIRWUFSSA-O

InChI

InChI=1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/p+1/t12-,15+,18+,21-/m1/s1

SMILES

C=C[C@@H]1[C@H](C[C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58012 chebi:58012	strictosidine aglycone (1S)-1-{[(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-ethenyl-3,4-dihydro-2H-pyran-4-yl]methyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium strictosidine aglycone cation strictosidine aglycone(1+)
kegg.compound:C03309 keggC:C03309	Strictosidine aglycone
seed.compound:cpd02108 seedM:cpd02108	Strictosidine aglycone (1S)-1-{[(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-ethenyl-3,4-dihydro-2H-pyran-4-yl]methyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium strictosidine-aglycone
metacyc.compound:STRICTOSIDINE-AGLYCONE metacycM:STRICTOSIDINE-AGLYCONE	strictosidine aglycone (1S)-1-{[(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-ethenyl-3,4-dihydro-2H-pyran-4-yl]methyl}-2,3,4,9-tetrahydro-1H-beta-carbolin-2-ium
CHEBI:17096 chebi:17096	strictosidine aglycone Strictosidine aglycone methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-{[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl}-3,4-dihydro-2H-pyran-5-carboxylate
chebi:15123 chebi:26793 chebi:9289 keggC:M_C03309 seedM:M_cpd02108	secondary/obsolete/fantasy identifier