(Q105220898)

English

[(2R)-2-hydroxy-2-[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]ethyl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-Hydroxy-2-[3,4,5-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]ethyl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

514.095870004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₁₅

0 references

canonical SMILES

O=C(OCC(O)C1OC(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O)C3=CC(O)=C(O)C(O)=C3

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isomeric SMILES

O=C(OC[C@@H](O)[C@H]1O[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Cornus officinalis

1 reference

stated in

Sedoheptulose digallate from Cornus officinalis

Identifiers

InChI

InChI=1S/C21H22O15/c22-9-1-7(2-10(23)14(9)27)19(31)34-5-13(26)17-16(29)18(30)21(33,36-17)6-35-20(32)8-3-11(24)15(28)12(25)4-8/h1-4,13,16-18,22-30,33H,5-6H2/t13-,16-,17-,18+,21-/m1/s1

0 references

InChIKey

QHFWAPRVWFUVQH-GTFRVERFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QHFWAPRVWFUVQH-GTFRVERFSA-N

(Q105220898)

[(2R)-2-hydroxy-2-[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]ethyl] 3,4,5-trihydroxybenzoate

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