(Q105115042)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-(4-methoxyphenoxy)oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

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based on heuristic

inferred from SMILES

mass

582.194855768 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₄

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canonical SMILES

O=C(OCC1(O)COC(OCC2OC(OC3=CC=C(OC)C=C3)C(O)C(O)C2O)C1O)C4=CC=C(OC)C(OC)=C4

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isomeric SMILES

COc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC(=O)c4ccc(OC)c(OC)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1

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found in taxon

Handroanthus impetiginosum

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stated in

Constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

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stated in

Constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C27H34O14/c1-34-15-5-7-16(8-6-15)40-25-22(30)21(29)20(28)19(41-25)11-37-26-23(31)27(33,13-39-26)12-38-24(32)14-4-9-17(35-2)18(10-14)36-3/h4-10,19-23,25-26,28-31,33H,11-13H2,1-3H3/t19-,20-,21+,22-,23+,25-,26-,27-/m1/s1

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InChIKey

IKZXEISUNLAELH-AFBUJPPUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IKZXEISUNLAELH-AFBUJPPUSA-N

1 reference

(Q105115042)

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

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Identifiers

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