4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide (Q27160579)

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

9 October 2016

chemical formula

C₁₇H₂₂O₁₁

0 references

canonical SMILES

C1=CC(=C(C=C1CC(CCC(=O)OC2(C(C(C(C(C(=O)O)(O2)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H])O)O

1 reference

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

9 October 2016

isomeric SMILES

C1=CC(=C(C=C1CC(CCC(=O)O[C@]2([C@@]([C@]([C@@]([C@@](C(=O)O)(O2)[H])(O)[H])(O)[H])(O)[H])[H])(O)[H])O)O

1 reference

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

InChI=1S/C17H22O11/c18-8(5-7-1-3-9(19)10(20)6-7)2-4-11(21)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-20,22-24H,2,4-5H2,(H,25,26)/t8?,12-,13-,14+,15-,17+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

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

FZTBEBWSWJPSHQ-AHLSELSJSA-N

9 October 2016

InChIKey

2 references

4-Hydroxy-5-(3',4'-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-(3,4-Dihydroxyphenyl)-4-hydroxypentanoyl]-beta-D-glucopyranuronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

FZTBEBWSWJPSHQ-AHLSELSJSA-N

ChEBI ID

88690

mapping relation type

2 references

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