(Q105146689)

English

2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid

1 reference

based on heuristic

inferred from SMILES

316.079432092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₆O₉

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canonical SMILES

O=C(O)C=1C=CC=C(OC2OC(CO)C(O)C(O)C2O)C1O

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isomeric SMILES

O=C(O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O

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Geniostoma antherotrichum

1 reference

A benzoic acid glycoside from Geniostoma antherotrichum

Strychnos cocculoides

1 reference

Phenolic and bis-iridoid glycosides from Strychnos cocculoides

Isatis quadrialata

1 reference

Hydroxybenzoic acids from Boreava orientalis

Identifiers

InChI=1S/C13H16O9/c14-4-7-9(16)10(17)11(18)13(22-7)21-6-3-1-2-5(8(6)15)12(19)20/h1-3,7,9-11,13-18H,4H2,(H,19,20)/t7-,9-,10+,11-,13-/m1/s1

0 references

KVRUHZSAKSIVTD-JEUROIALSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

KVRUHZSAKSIVTD-JEUROIALSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C13H16O9/c14-4-7-9(16)10(17)11(18)13(22-7)21-6-3-1-2-5(8(6)15)12(19)20/h1-3,7,9-11,13-18H,4H2,(H,19,20)/t7-,9-,10+,11-,13-/m1/s1

UniChem compound ID

1 reference

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