(Q104997217)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

568.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₄

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canonical SMILES

O=C(OCC1(O)COC(OCC2OC(OC3=CC=C(C=C3OC)CO)C(O)C(O)C2O)C1O)C4=CC=C(O)C=C4

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isomeric SMILES

COc1cc(CO)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)c3ccc(O)cc3)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Handroanthus impetiginosum

1 reference

stated in

Further constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Further constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C26H32O14/c1-35-17-8-13(9-27)2-7-16(17)39-24-21(31)20(30)19(29)18(40-24)10-36-25-22(32)26(34,12-38-25)11-37-23(33)14-3-5-15(28)6-4-14/h2-8,18-22,24-25,27-32,34H,9-12H2,1H3/t18-,19-,20+,21-,22+,24-,25-,26-/m1/s1

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InChIKey

FLLLEVXQNGRTCK-RMOHBAFUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FLLLEVXQNGRTCK-RMOHBAFUSA-N

(Q104997217)

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

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Identifiers

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