Summary

IMPPAT Phytochemical identifier: IMPHY007229

Phytochemical name: D-Fructosazone

Synonymous chemical names:
glucosazon

External chemical identifiers:
CID:91618094, FDASRS:725V6DIS8A

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Chemical structure information

SMILES:
OC[C@H]([C@H]([C@@H](C(=NNc1ccccc1)/C=N/Nc1ccccc1)O)O)O

InChI:
InChI=1S/C18H22N4O4/c23-12-16(24)18(26)17(25)15(22-21-14-9-5-2-6-10-14)11-19-20-13-7-3-1-4-8-13/h1-11,16-18,20-21,23-26H,12H2/b19-11+,22-15?/t16-,17-,18-/m1/s1

InChIKey:
BZVNQJMWJJOFFB-UGSZPUKBSA-N

DeepSMILES:
OC[C@H][C@H][C@@H]C=NNcccccc6))))))))/C=N/Ncccccc6))))))))))O))O))O

Functional groups:
CO, cNN=C(C)/C=N/Nc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(C=NNc1ccccc1)=NNc1ccccc1

Scaffold Graph/Node level:
C1CCC(NNCCNNC2CCCCC2)CC1

Scaffold Graph level:
C(CCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylhydrazines

NP-Likeness score: -0.015

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Chemical structure download