(Q105141854)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2,6-Dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

450.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(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

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C1C=2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2OC1(O)CC4=CC=C(O)C=C4

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isomeric SMILES

O=C1c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)cc2O[C@]1(O)Cc1ccc(O)cc1

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found in taxon

Hovenia trichocarpa

2 references

stated in

Hovetrichosides C-G, five new glycosides of two auronols, two neolignans, and a phenylpropanoid from the bark of Hovenia trichocarea

stated in

Isolation and absolute structures of enantiomeric 1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol 1-O-glucosides from the bark of Hovenia trichocarpa

Medicago truncatula

1 reference

stated in

Gentisic acid conjugates of Medicago truncatula roots.

Artocarpus tonkinensis

1 reference

stated in

Immunosuppressive auronol glycosides from Artocarpus tonkinensis

Punica granatum

1 reference

stated in

Diverse Phytochemicals and Bioactivities in the Ancient Fruit and Modern Functional Food Pomegranate (Punica granatum).

Identifiers

InChI

InChI=1S/C21H22O11/c22-8-14-16(25)17(26)18(27)20(31-14)30-12-5-11(24)6-13-15(12)19(28)21(29,32-13)7-9-1-3-10(23)4-2-9/h1-6,14,16-18,20,22-27,29H,7-8H2/t14-,16-,17+,18-,20-,21-/m1/s1

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InChIKey

KJIWCKSQHHNTTL-YDKFGTHVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KJIWCKSQHHNTTL-YDKFGTHVSA-N

1 reference

(Q105141854)

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

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