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shinorine

MNXM165151 is deprecated and here replaced by MNXM1368602
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368602 Image of MNXM1368602
referencechebi:131712
formulaC13H20N2O8
global charge0
mol weight332.309
InChIKeyWXEQFJUHQIGKNG-MZNRBSSJSA-N
InChIInChI=1S/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)/b15-8+/t9-,13-/m0/s1
SMILESCOC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](CO)C(=O)O
MNX internals
InChI (mnx)InChI=1/C13H20N2O8/c1-23-11-7(14-4-10(18)19)2-13(22,6-17)3-8(11)15-9(5-16)12(20)21/h9,14,16-17,22H,2-6H2,1H3,(H,18,19)(H,20,21)/b15-8+/t9-,13-/m0/s1 Image of MNXM1368602
SMILES (mnx)[CH3:1][O:23][C:11]1=[C:7]([NH:14][CH2:4][C:10](=[O:18])[OH:19])[CH2:2][C@:13]([CH2:6][OH:17])([OH:22])[CH2:3]/[C:8]1=[N:15]\[C@@H:9]([CH2:5][OH:16])[C:12](=[O:20])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131712
chebi:131712
WXEQFJUHQIGKNG-MZNRBSSJSA-N 		shinorine
(E)-N-[(5S)-3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]-L-serine

metacyc.compound:CPD-18778
metacycM:CPD-18778
WXEQFJUHQIGKNG-MZNRBSSJSA-L 		shinorine