5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl (Q27161734)

3-Hydroxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phenyl methyl alpha-D-glucopyranosiduronate (English)

9 October 2016

chemical formula

C₁₈H₂₂O₁₀

0 references

canonical SMILES

COC(C1(C(C(C(C(OC2=CC(=CC(=C2)O)CC3(CCC(=O)O3)[H])(O1)[H])(O)[H])(O)[H])(O)[H])[H])=O

1 reference

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl (English)

9 October 2016

isomeric SMILES

COC([C@@]1([C@]([C@@]([C@](C(OC2=CC(=CC(=C2)O)CC3(CCC(=O)O3)[H])(O1)[H])(O)[H])(O)[H])(O)[H])[H])=O

1 reference

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl (English)

InChI=1S/C18H22O10/c1-25-17(24)16-14(22)13(21)15(23)18(28-16)27-11-6-8(4-9(19)7-11)5-10-2-3-12(20)26-10/h4,6-7,10,13-16,18-19,21-23H,2-3,5H2,1H3/t10?,13-,14-,15+,16-,18?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl (English)

SNIRJYJBIJKJEM-LQOUNWOVSA-N

9 October 2016

InChIKey

2 references

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

3-Hydroxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phenyl methyl alpha-D-glucopyranosiduronate (English)

9 October 2016

2 references

26 December 2021

InChIKey

SNIRJYJBIJKJEM-LQOUNWOVSA-N

ChEBI ID

89537

mapping relation type

2 references

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl (English)