5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide (Q27160599)

2,3-Dihydroxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phenyl D-glucopyranosiduronic acid (English)

9 October 2016

chemical formula

C₁₇H₂₀O₁₁

0 references

canonical SMILES

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

1 reference

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

9 October 2016

isomeric SMILES

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

1 reference

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

InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

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

VQHXMQYHVVQQFP-CXWHQSFFSA-N

9 October 2016

InChIKey

2 references

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

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

2,3-Dihydroxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phenyl D-glucopyranosiduronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

VQHXMQYHVVQQFP-CXWHQSFFSA-N

ChEBI ID

88702

mapping relation type

2 references

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