5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (Q27160687)

2-Methoxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phenyl beta-L-glucopyranosiduronic acid (English)

9 October 2016

chemical formula

C₁₈H₂₂O₁₀

0 references

canonical SMILES

COC=1C=CC(CC2(CCC(=O)O2)[H])=CC1OC3(C(C(C(C(C(=O)O)(O3)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (English)

9 October 2016

isomeric SMILES

COC=1C=CC(CC2(CCC(=O)O2)[H])=CC1O[C@@]3([C@]([C@@]([C@]([C@](C(=O)O)(O3)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (English)

InChI=1S/C18H22O10/c1-25-10-4-2-8(6-9-3-5-12(19)26-9)7-11(10)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)/t9?,13-,14-,15+,16-,18+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (English)

VZGJAVFCUBLIJF-ZOQSEFCISA-N

9 October 2016

InChIKey

2 references

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

2-Methoxy-5-[(5-oxotetrahydro-2-furanyl)methyl]phenyl beta-L-glucopyranosiduronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

VZGJAVFCUBLIJF-ZOQSEFCISA-N

ChEBI ID

88748

mapping relation type

2 references

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide (English)