4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (Q27160603)

1-O-(4-Hydroxy-5-phenylpentanoyl)-L-glucopyranuronic acid (English)

9 October 2016

chemical formula

C₁₇H₂₂O₉

0 references

canonical SMILES

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

1 reference

4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (English)

9 October 2016

isomeric SMILES

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

1 reference

4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (English)

InChI=1S/C17H22O9/c18-10(8-9-4-2-1-3-5-9)6-7-11(19)25-17-14(22)12(20)13(21)15(26-17)16(23)24/h1-5,10,12-15,17-18,20-22H,6-8H2,(H,23,24)/t10?,12-,13-,14+,15-,17?/m1/s1

9 October 2016

Identifiers

InChI

1 reference

4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (English)

IMTGYVWDOAJQQP-UFZVYEDBSA-N

9 October 2016

InChIKey

2 references

4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

1-O-(4-Hydroxy-5-phenylpentanoyl)-L-glucopyranuronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

IMTGYVWDOAJQQP-UFZVYEDBSA-N

ChEBI ID

88704

mapping relation type

2 references

4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide (English)