5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (Q27160587)

2-Hydroxy-4-[(5-oxotetrahydro-2-furanyl)methyl]phenyl beta-L-glucopyranosiduronic acid (English)

9 October 2016

chemical formula

C₁₇H₂₀O₁₀

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=C(C=C1CC2(CCC(=O)O2)[H])O)OC3(C(C(C(C(C(=O)O)(O3)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

9 October 2016

isomeric SMILES

C1=CC(=C(C=C1CC2(CCC(=O)O2)[H])O)O[C@@]3([C@]([C@@]([C@]([C@](C(=O)O)(O3)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

OTBJYBQGMPICIK-GHPVWUPISA-N

9 October 2016

InChIKey

2 references

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

2-Hydroxy-4-[(5-oxotetrahydro-2-furanyl)methyl]phenyl beta-L-glucopyranosiduronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

OTBJYBQGMPICIK-GHPVWUPISA-N

ChEBI ID

88695

mapping relation type

2 references

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)