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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28N4O7
Molecular Weight 412.4375
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYPYRIDINOLINE

SMILES

N[C@@H](CCC1=C[N+](CCCC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O

InChI

InChIKey=ZAHDXEIQWWLQQL-IHRRRGAJSA-N
InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H28N4O7
Molecular Weight 412.4375
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GXI9WV7IP9
Record Status Validated (UNII)
Record Version