(Q104988213)

English

[(3S,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-2-oxooxolan-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-Galloyl-1,4-galactarolactone methyl ester

1 reference

based on heuristic

inferred from SMILES

mass

358.053611268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₄O₁₁

0 references

canonical SMILES

O=C(OC1C(=O)OC(C(O)C(=O)OC)C1O)C2=CC(O)=C(O)C(O)=C2

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isomeric SMILES

COC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O

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found in taxon

Phyllanthus emblica

1 reference

stated in

New phenolic constituents from the fruit juice of Phyllanthus emblica

Identifiers

InChI

InChI=1S/C14H14O11/c1-23-13(21)9(19)10-8(18)11(14(22)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3/t8-,9-,10+,11+/m1/s1

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InChIKey

DTDWLEXEERIYFQ-ZNSHCXBVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTDWLEXEERIYFQ-ZNSHCXBVSA-N

(Q104988213)

[(3S,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-2-oxooxolan-3-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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