4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (Q27160576)

1-O-[5-(3,5-Dihydroxyphenyl)-4-hydroxypentanoyl]-beta-D-glucopyranuronic acid (English)

9 October 2016

chemical formula

C₁₇H₂₂O₁₁

0 references

canonical SMILES

C(CC(=O)OC1(C(C(C(C(C(=O)O)(O1)[H])(O)[H])(O)[H])(O)[H])[H])C(CC2=CC(=CC(=C2)O)O)(O)[H]

1 reference

4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (English)

9 October 2016

isomeric SMILES

C(CC(=O)O[C@]1([C@@]([C@]([C@@]([C@@](C(=O)O)(O1)[H])(O)[H])(O)[H])(O)[H])[H])C(CC2=CC(=CC(=C2)O)O)(O)[H]

1 reference

4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (English)

InChI=1S/C17H22O11/c18-8(3-7-4-9(19)6-10(20)5-7)1-2-11(21)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-6,8,12-15,17-20,22-24H,1-3H2,(H,25,26)/t8?,12-,13-,14+,15-,17+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (English)

COBSRKLPDWFDCG-AHLSELSJSA-N

9 October 2016

InChIKey

2 references

4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

1-O-[5-(3,5-Dihydroxyphenyl)-4-hydroxypentanoyl]-beta-D-glucopyranuronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

COBSRKLPDWFDCG-AHLSELSJSA-N

ChEBI ID

88688

mapping relation type

2 references

4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide (English)