4-O-beta-D-glucosyl-4-coumarate (Q27120843)

(2E)-3-[4-(beta-D-Glucopyranosyloxy)phenyl]acrylate (English)

6 October 2016

chemical formula

C₁₅H₁₇O₈⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=1C=C(C=CC1C=CC(=O)[O-])OC2(C(C(C(C(CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

4-O-beta-D-glucosyl-4-coumarate (English)

6 October 2016

isomeric SMILES

C=1C=C(C=CC1C=CC(=O)[O-])O[C@]2([C@@]([C@]([C@@]([C@@](CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H]

1 reference

4-O-beta-D-glucosyl-4-coumarate (English)

InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/p-1/t10-,12-,13+,14-,15-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

4-O-beta-D-glucosyl-4-coumarate (English)

LJFYQZQUAULRDF-TVKJYDDYSA-M

6 October 2016

InChIKey

2 references

4-O-beta-D-glucosyl-4-coumarate (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2E)-3-[4-(beta-D-Glucopyranosyloxy)phenyl]acrylate (English)

matched by identifier from

6 October 2016

PubChem CID

139031345

1 reference

InChIKey

LJFYQZQUAULRDF-TVKJYDDYSA-M

ChEBI ID

47893

mapping relation type

2 references

4-O-beta-D-glucosyl-4-coumarate (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/p-1/t10-,12-,13+,14-,15-/m1/s1

1 reference

4-O-beta-D-glucosyl-4-coumarate (English)