(Q105139951)

English

Bis[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-phenylprop-2-enoyloxy)oxan-2-yl]oxy-2-(2-methylpropyl)butanedioate

group of stereoisomers with the chemical formula C₄₉H₆₂O₂₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,018.368188244 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₉H₆₂O₂₃

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1CO)OC(C(=O)OCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)(CC(=O)OCC4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)CC(C)C)C=CC=6C=CC=CC6

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found in taxon

Gymnadenia conopsea

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stated in

Bioactive constituents from Chinese natural medicines. XVII. constituents with radical scavenging effect and new glucosyloxybenzyl 2-isobutylmalates from Gymnadenia conopsea

Identifiers

InChI

InChI=1S/C49H62O23/c1-25(2)18-49(48(63)65-24-28-10-15-30(16-11-28)67-46-42(61)39(58)37(56)32(21-51)69-46,72-47-43(62)40(59)44(33(22-52)70-47)71-34(53)17-12-26-6-4-3-5-7-26)19-35(54)64-23-27-8-13-29(14-9-27)66-45-41(60)38(57)36(55)31(20-50)68-45/h3-17,25,31-33,36-47,50-52,55-62H,18-24H2,1-2H3

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InChIKey

KEGAFEYNHDLHCA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KEGAFEYNHDLHCA-UHFFFAOYSA-N

(Q105139951)

Bis[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3-phenylprop-2-enoyloxy)oxan-2-yl]oxy-2-(2-methylpropyl)butanedioate

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Identifiers

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