(Q82873431)

English

3-(2-Glucosyloxy-4- Methoxyphenyl)propanoic acid

chemical compound

In more languages

Statements

type of chemical entity

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3-[4-Methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

358.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₉

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canonical SMILES

O=C(O)CCC1=CC=C(OC)C=C1OC2OC(CO)C(O)C(O)C2O

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isomeric SMILES

COC1=CC(=C(C=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

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Gnidia polycephala

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Phenylpropanoid glycosides of Gnidia polycephala

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An extract of Tagetes lucida and its phenolic constituents as antioxidants.

Identifiers

InChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1

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LIVNOUBJFOXZOR-YMILTQATSA-N

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CAS Registry Number

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1 reference

matched by identifier from

LIVNOUBJFOXZOR-YMILTQATSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C16H22O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2,4,6,11,13-17,20-22H,3,5,7H2,1H3,(H,18,19)/t11-,13-,14+,15-,16-/m1/s1

UniChem compound ID

1 reference

DSSTox substance ID

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matched by identifier from

LIVNOUBJFOXZOR-YMILTQATSA-N

DSSTOX compound identifier

DTXCID101333285

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