Summary

IMPPAT Phytochemical identifier: IMPHY001894

Phytochemical name: Phenyl glucoside

Synonymous chemical names:
phenyl glucoside

External chemical identifiers:
CID:11701599, SureChEMBL:SCHEMBL187907

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Chemical structure information

SMILES:
OC[C@H]1OC(Oc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12?/m1/s1

InChIKey:
NEZJDVYDSZTRFS-OZRWLHRGSA-N

DeepSMILES:
OC[C@H]OCOcccccc6)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, cOC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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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: Shikimates and Phenylpropanoids

NP-Likeness score: 1.752

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Chemical structure download