(Q105162231)

English

(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

chemical compound

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type of chemical entity

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1 reference

2-[(3,4-Dihydroxyphenyl)methylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

1 reference

based on heuristic

inferred from SMILES

mass

432.10564684 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

1 reference

based on heuristic

inferred from InChI

2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

1 reference

based on heuristic

inferred from InChI

(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₀

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canonical SMILES

O=C1C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C12)=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C1/C(=C\c2ccc(O)c(O)c2)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc21

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found in taxon

Butea monosperma

1 reference

stated in

The glucosides of Butea monosperma

Identifiers

InChI

InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2/b15-6+/t16-,18-,19+,20-,21+/m1/s1

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InChIKey

MEHCTOVFPFJFEW-CHVHLKOWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MEHCTOVFPFJFEW-CHVHLKOWSA-N

(Q105162231)

(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

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