trans-isoeugenol-O-glucuronide (Q27161754)

2-Methoxy-4-[(1E)-1-propen-1-yl]phenyl alpha-D-glucopyranosiduronic acid (English)

9 October 2016

chemical formula

C₁₆H₂₀O₈

0 references

canonical SMILES

CC(=C(C=1C=CC(=C(C1)OC)OC2(C(C(C(C(C(=O)O)(O2)[H])(O)[H])(O)[H])(O)[H])[H])[H])[H]

1 reference

trans-isoeugenol-O-glucuronide (English)

9 October 2016

isomeric SMILES

C\C(=C(\C=1C=CC(=C(C1)OC)OC2([C@@]([C@]([C@@]([C@@](C(=O)O)(O2)[H])(O)[H])(O)[H])(O)[H])[H])/[H])\[H]

1 reference

trans-isoeugenol-O-glucuronide (English)

InChI=1S/C16H20O8/c1-3-4-8-5-6-9(10(7-8)22-2)23-16-13(19)11(17)12(18)14(24-16)15(20)21/h3-7,11-14,16-19H,1-2H3,(H,20,21)/b4-3+/t11-,12-,13+,14-,16?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

trans-isoeugenol-O-glucuronide (English)

HBQGHTRBYUFZLV-MIJQFFSFSA-N

9 October 2016

InChIKey

2 references

trans-isoeugenol-O-glucuronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

2-Methoxy-4-[(1E)-1-propen-1-yl]phenyl alpha-D-glucopyranosiduronic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

HBQGHTRBYUFZLV-MIJQFFSFSA-N

ChEBI ID

89553

mapping relation type

2 references

trans-isoeugenol-O-glucuronide (English)