(Q104955009)

English

1-[4-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-6-methoxyphenyl]ethanone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[4-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-6-methoxyphenyl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

476.152990956 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₁₃

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canonical SMILES

O=C(C1=C(O)C=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C1OC)C

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isomeric SMILES

COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(C)=O

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found in taxon

Erythroxylum cambodianum

1 reference

stated in

Acetophenone diglycosides from Erythroxylum cambodianum

Identifiers

InChI

InChI=1S/C20H28O13/c1-8(22)13-10(23)3-9(4-11(13)29-2)32-18-16(26)15(25)14(24)12(33-18)5-30-19-17(27)20(28,6-21)7-31-19/h3-4,12,14-19,21,23-28H,5-7H2,1-2H3/t12-,14+,15+,16-,17+,18-,19-,20-/m1/s1

0 references

InChIKey

CDQFXFHWSXNKKO-SJXFYNKMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104955009)

1-[4-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-6-methoxyphenyl]ethanone

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Identifiers

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