5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (Q27160582)

2,6-Dihydroxy-4-[(5-oxotetrahydro-2-furanyl)methyl]phenyl beta-D-glucopyranosiduronic acid (English)

9 October 2016

chemical formula

C₁₇H₂₀O₁₁

0 references

canonical SMILES

C1CC(=O)OC1(CC2=CC(=C(C(=C2)O)OC3(C(C(C(C(C(=O)O)(O3)[H])(O)[H])(O)[H])(O)[H])[H])O)[H]

1 reference

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

9 October 2016

isomeric SMILES

C1CC(=O)OC1(CC2=CC(=C(C(=C2)O)O[C@]3([C@@]([C@]([C@@]([C@@](C(=O)O)(O3)[H])(O)[H])(O)[H])(O)[H])[H])O)[H]

1 reference

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

InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

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

ATYNVCXMADLPJQ-YSVLGHOVSA-N

9 October 2016

InChIKey

2 references

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

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

2,6-Dihydroxy-4-[(5-oxotetrahydro-2-furanyl)methyl]phenyl beta-D-glucopyranosiduronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

ATYNVCXMADLPJQ-YSVLGHOVSA-N

ChEBI ID

88692

mapping relation type

2 references

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