Summary

IMPPAT Phytochemical identifier: IMPHY014463

Phytochemical name: L-Glucurono-3,6-lactone

Synonymous chemical names:
l-glucuronic acid

External chemical identifiers:
CID:71317103

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Chemical structure information

SMILES:
O[C@H]1C(O)O[C@@H]2C1OC(=O)[C@H]2O

InChI:
InChI=1S/C6H8O6/c7-1-3-4(12-5(1)9)2(8)6(10)11-3/h1-5,7-9H/t1-,2+,3?,4+,5?/m1/s1

InChIKey:
OGLCQHRZUSEXNB-UCDXPBRXSA-N

DeepSMILES:
O[C@H]CO)O[C@@H]C5OC=O)[C@H]5O

Functional groups:
CO, COC(C)=O, COC(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2OCCC2O1

Scaffold Graph/Node level:
OC1CC2OCCC2O1

Scaffold Graph level:
CC1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Furofurans

ClassyFire Subclass: Isosorbides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 2.842

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Chemical structure download