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CHEBI:40001 - 3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

Default Structure
ChEBI IDCHEBI:40001
ChEBI Name3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
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DownloadsMolfile
FormulaC16H17N3O4
Net Charge0
Average Mass315.329
Monoisotopic Mass315.12191
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])/C(=N\N([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C(O[H])=C([H])C1=O
InChIInChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1
InChIKeyNERVXQLOUNZHAC-NHLWYUBBSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine (CHEBI:40001) is a unclassifieds (CHEBI:27189)
Synonym  Source
3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alaninePDBeChem
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3TYPDBeChem