(Q104999848)

English

4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

398.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[4-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₂O₁₀

0 references

canonical SMILES

O=C(O)CCC1=C(OC2OC(CO)C(O)C(O)C2O)C=C3OC=CC3=C1OC

0 references

isomeric SMILES

COc1c(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occc12

0 references

found in taxon

Picrasma quassioides

1 reference

stated in

Phenylpropanoids and other secondary metabolites from fresh fruits of Picrasma quassioides

Ruta graveolen

1 reference

stated in

Water-soluble glycosides from Ruta graveolens

Identifiers

InChI

InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)/t12-,14-,15+,16-,18-/m1/s1

0 references

InChIKey

FQTKOEVCGAVVIG-AEWXESQOSA-N

0 references

CAS Registry Number

169312-28-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FQTKOEVCGAVVIG-AEWXESQOSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FQTKOEVCGAVVIG-AEWXESQOSA-N

(Q104999848)

4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid

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Identifiers

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