Ketcher 11061716212D 1   1.00000     0.00000     0

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  5  3  1  0     0  0
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 12 21  1  0     0  0
 23 22  2  0     0  0
 24 22  1  0     0  0
 21 22  1  0     0  0
 26 25  1  0     0  0
 27 25  2  0     0  0
 28 26  2  0     0  0
 29 27  1  0     0  0
 30 28  1  0     0  0
 30 29  2  0     0  0
 24 25  1  0     0  0
M  END
> <ID>
CHEBI:17959

> <NAME>
oxidized Renilla luciferin

> <DEFINITION>
An aromatic amide obtained by formal condensation of the carboxy group of phenylacetic acid with the exocyclic amino group of 4-(5-amino-6-benzylpyrazin-2-yl)phenol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7830; CHEBI:14712; CHEBI:25745

> <SYNONYM>
Oxidized Renilla luciferin; excited coelenteramide h

> <IUPAC_NAME>
N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide

> <FORMULA>
C25H21N3O2

> <MASS>
395.454

> <MONOISOTOPIC_MASS>
395.16338

> <CHARGE>
0

> <SMILES>
C=1(C=CC(=CC1)O)C=2C=NC(=C(N2)CC=3C=CC=CC3)NC(=O)CC=4C=CC=CC4

> <INCHI>
InChI=1S/C25H21N3O2/c29-21-13-11-20(12-14-21)23-17-26-25(22(27-23)15-18-7-3-1-4-8-18)28-24(30)16-19-9-5-2-6-10-19/h1-14,17,29H,15-16H2,(H,26,28,30)

> <INCHIKEY>
GLNOCHFLWSMEDS-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
711884

> <KEGG_COMPOUND_ACCESSION>
C03717

> <METACYC_ACCESSION>
OXIDIZED-LUCIFERIN

$$$$