Summary

IMPPAT Phytochemical identifier: IMPHY006390

Phytochemical name: Cyano glucopyranoside

Synonymous chemical names:
cyanoglucoside

External chemical identifiers:
CID:54078268, SureChEMBL:SCHEMBL42069

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Chemical structure information

SMILES:
N#COC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C7H11NO6/c8-2-13-7-6(12)5(11)4(10)3(1-9)14-7/h3-7,9-12H,1H2/t3-,4-,5+,6-,7?/m1/s1

InChIKey:
MLGIBNZTQQXXTR-WLDMJGECSA-N

DeepSMILES:
N#COCO[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
CO, COC(C)OC#N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 2.014

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Chemical structure download