Summary

IMPPAT Phytochemical identifier: IMPHY008709

Phytochemical name: 4-O-Methylglucuronic acid

Synonymous chemical names:
4-0-methyl glucuronic acid, 4-o-methyl-d-glucuronic acid, 4-o-methyl-glucuronic-acid, 4-o-methylglucuronic acid, glucuronic acid, 4-o-methyl

External chemical identifiers:
CID:151010, SureChEMBL:SCHEMBL76123

---

Chemical structure information

SMILES:
O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)OC)O)O

InChI:
InChI=1S/C7H12O7/c1-14-6(5(11)7(12)13)4(10)3(9)2-8/h2-6,9-11H,1H3,(H,12,13)/t3-,4+,5-,6-/m0/s1

InChIKey:
QGGOCWIJGWDKHC-FSIIMWSLSA-N

DeepSMILES:
O=C[C@@H][C@H][C@@H][C@@H]C=O)O))O))OC)))O))O

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

---

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: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 1.731

---

Chemical structure download