(Q105111080)

English

[(2S,3R,4S,5S,6R)-2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-(3-Acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

450.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₁₁

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C=2C(O)=CC(O)=C(C(=O)C)C2O)CO)C3=CC=C(O)C=C3

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isomeric SMILES

CC(=O)c1c(O)cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(O)cc2)c1O

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found in taxon

Upuna borneensis

1 reference

stated in

Acetophenone C-glucosides and stilbene O-glucosides in Upuna borneensis

Identifiers

InChI

InChI=1S/C21H22O11/c1-8(23)14-11(25)6-12(26)15(17(14)28)19-20(18(29)16(27)13(7-22)31-19)32-21(30)9-2-4-10(24)5-3-9/h2-6,13,16,18-20,22,24-29H,7H2,1H3/t13-,16-,18+,19+,20-/m1/s1

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InChIKey

ICMNHOKGFIREHY-PPOOEBMNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ICMNHOKGFIREHY-PPOOEBMNSA-N

1 reference

(Q105111080)

[(2S,3R,4S,5S,6R)-2-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate

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Identifiers

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