(Q105331631)

English

4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

638.111913992 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₆O₁₈

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canonical SMILES

O=C(O)C1=CC(O)=C(O)C(OC2=C(O)C(O)=C(O)C=C2C(=O)OCC3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C(O)=C3)=C1

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isomeric SMILES

O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)OCc3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc(O)c(O)c2O)c1

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found in taxon

Castanea mollissima

1 reference

stated in

Hydrolysable tannins and related compounds from Castanea mollissima

Castanopsis cuspidata

2 references

stated in

Identifiers

InChI

InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)10-5-12(30)18(34)21(37)23(10)43-15-4-9(25(39)40)3-11(29)17(15)33/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)/t16-,19-,20+,22-,27+/m1/s1

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InChIKey

XNGJTVXWNURNOS-OPVSPXBJSA-N

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CAS Registry Number

68735-76-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNGJTVXWNURNOS-OPVSPXBJSA-N

1 reference

1 reference

matched by identifier from

InChIKey

XNGJTVXWNURNOS-OPVSPXBJSA-N

KNApSAcK ID

C00055087

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XNGJTVXWNURNOS-OPVSPXBJSA-N

(Q105331631)

4-[[[2-(5-Carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoyl]oxy]methyl]-2,6-dihydroxyphenyl beta-D-glucopyranoside

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