(Q105223052)

English

[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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type of chemical entity

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subclass of

[4-[3,4-Dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

666.252370644 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₁₅

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(OC)C(O)=C2)C(O)C1OC3OC(CO)C(C)C(O)C3O)CO)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](CO)[C@H](C)[C@@H](O)[C@H]3O)[C@H]2O)cc1O

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found in taxon

Bacopa monniera

1 reference

stated in

Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera

Schnabelia tetradonta

1 reference

stated in

Chemical constituents of the aerial parts of Schnabelia tetradonta

Bacopa monnieri

1 reference

stated in

Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera

Identifiers

InChI

InChI=1S/C32H42O15/c1-16-23(14-33)44-32(27(39)26(16)38)47-30-28(40)31(43-11-10-18-5-8-21(41-2)20(36)12-18)45-24(15-34)29(30)46-25(37)9-6-17-4-7-19(35)22(13-17)42-3/h4-9,12-13,16,23-24,26-36,38-40H,10-11,14-15H2,1-3H3/b9-6+/t16-,23-,24+,26+,27+,28+,29+,30+,31+,32-/m0/s1

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InChIKey

QKELSKZNQYWTNA-ZYXTWJIGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QKELSKZNQYWTNA-ZYXTWJIGSA-N

(Q105223052)

[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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