2,3-dihydroxybenzoic acid 3-O-beta-D-xyloside (Q27163102)

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

9 October 2016

chemical formula

C₁₂H₁₄O₈

1 reference

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

9 October 2016

canonical SMILES

C1C(C(C(C(O1)OC2=CC=CC(=C2O)C(=O)O)O)O)O

1 reference

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

9 October 2016

isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2O)C(=O)O)O)O)O

1 reference

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

InChI=1S/C12H14O8/c13-6-4-19-12(10(16)9(6)15)20-7-3-1-2-5(8(7)14)11(17)18/h1-3,6,9-10,12-16H,4H2,(H,17,18)/t6-,9+,10-,12+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

LRLNKLFTNOIZNI-LYXBDTNHSA-N

9 October 2016

InChIKey

2 references

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid (English)

matched by identifier from

9 October 2016

InChIKey

LRLNKLFTNOIZNI-LYXBDTNHSA-N

ChEBI ID

91166

mapping relation type

2 references

2,3-dihydroxybenzoic acid 3-O-beta-D-xyloside (English)