(Q105207808)

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 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-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

612.205420452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₅

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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(OC)C(OC)=C4

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isomeric SMILES

COc1ccc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](Oc4ccc(CO)cc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1OC

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found in taxon

Handroanthus impetiginosum

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stated in

Further constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

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stated in

Further constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C28H36O15/c1-36-16-7-5-15(9-19(16)38-3)25(34)40-12-28(35)13-41-27(24(28)33)39-11-20-21(30)22(31)23(32)26(43-20)42-17-6-4-14(10-29)8-18(17)37-2/h4-9,20-24,26-27,29-33,35H,10-13H2,1-3H3/t20-,21-,22+,23-,24+,26-,27-,28-/m1/s1

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InChIKey

PFKLYYZITOBUKJ-XORKOADCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFKLYYZITOBUKJ-XORKOADCSA-N

1 reference

(Q105207808)

[(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 3,4-dimethoxybenzoate

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Identifiers

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