(Q72509337)

English

5''-O-Syringoylkelampayoside A

chemical compound

3,4,5-Trimethoxyphenyl 6-O-[5-O-(4-hydroxy-3,5-dimethoxybenzoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranoside

In more languages

Statements

type of chemical entity

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chemical compound

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658.210899756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₁₇

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canonical SMILES

COc1cc(C(=O)OCC2(O)COC(OCC3OC(Oc4cc(OC)c(OC)c(OC)c4)C(O)C(O)C3O)C2O)cc(OC)c1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1cc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](Oc4cc(OC)c(OC)c(OC)c4)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc(OC)c1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C29H38O17/c1-37-15-6-13(7-16(38-2)20(15)30)26(35)43-11-29(36)12-44-28(25(29)34)42-10-19-21(31)22(32)23(33)27(46-19)45-14-8-17(39-3)24(41-5)18(9-14)40-4/h6-9,19,21-23,25,27-28,30-34,36H,10-12H2,1-5H3/t19-,21-,22+,23-,25+,27-,28-,29-/m1/s1

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JXFLXUHEPVEMKK-UTDQSPDHSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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1 reference

matched by identifier from

JXFLXUHEPVEMKK-UTDQSPDHSA-N

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