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Stizolobate

MNXM6441 is deprecated and here replaced by MNXM739138
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739138 Image of MNXM739138
referencechebi:9274
formulaC9H9NO6
global charge0
mol weight227.172
InChIKeyKQZBVNZAEQASKU-UHFFFAOYSA-N
InChIInChI=1S/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)
SMILESNC(CC1=CC(=O)OC(C(=O)O)=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C9H9NO6/c10-5(8(12)13)1-4-2-6(9(14)15)16-7(11)3-4/h2-3,5H,1,10H2,(H,12,13)(H,14,15)/t5? Image of MNXM739138
SMILES (mnx)[CH2:1]([C:4]1=[CH:3][C:7](=[O:11])[O:16][C:6]([C:9]([OH:14])=[O:15])=[CH:2]1)[CH:5]([C:8](=[O:12])[OH:13])[NH2:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9274
chebi:9274
KQZBVNZAEQASKU-UHFFFAOYSA-N 		Stizolobate

metacyc.compound:CPD-13905
metacycM:CPD-13905
KQZBVNZAEQASKU-UHFFFAOYSA-M 		stizolobate
stizolobic acid