5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (Q27160686)

5-(4-{[6-(Dihydroxymethyl)-3,4,5-trimethyltetrahydro-2H-pyran-2-yl]oxy}benzyl)dihydro-2(3H)-furanone (English)

9 October 2016

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

CC1C(C)C(C(O)O)OC(C1C)OC2=CC=C(C=C2)CC3CCC(=O)O3

1 reference

5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

InChI=1S/C20H28O6/c1-11-12(2)18(19(22)23)26-20(13(11)3)25-15-6-4-14(5-7-15)10-16-8-9-17(21)24-16/h4-7,11-13,16,18-20,22-23H,8-10H2,1-3H3

9 October 2016

Identifiers

InChI

1 reference

5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

DCVIOAHIQDCAHO-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

5-(4-{[6-(Dihydroxymethyl)-3,4,5-trimethyltetrahydro-2H-pyran-2-yl]oxy}benzyl)dihydro-2(3H)-furanone (English)

9 October 2016

2 references

26 December 2021

InChIKey

DCVIOAHIQDCAHO-UHFFFAOYSA-N

ChEBI ID

88747

mapping relation type

2 references

5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide (English)