3-Methoxy-4-hydroxyphenylglycol glucuronide (Q27161595)

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

9 October 2016

chemical formula

C₁₅H₂₀O₁₀

1 reference

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

9 October 2016

canonical SMILES

COC1=C(C=CC(=C1)C(CO)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

1 reference

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

9 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)C(CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

1 reference

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

VMWCOZPKGQMCRO-UICVJNQZSA-N

9 October 2016

InChIKey

2 references

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

9 October 2016

1 reference

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

9 October 2016

2 references

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)

matched by identifier from

9 October 2016

InChIKey

VMWCOZPKGQMCRO-UICVJNQZSA-N

ChEBI ID

89405

mapping relation type

2 references

3-Methoxy-4-hydroxyphenylglycol glucuronide (English)