(Q115972170)

English

(3S,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(R)-(4-hydroxy-3-methoxyphenyl)-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

536.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₂

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canonical SMILES

O=C1OCC(C(OC2OC(CO)C(O)C(O)C2O)C3=CC=C(O)C(OC)=C3)C1CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C[C@@H]2C(=O)OC[C@H]2[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccc(O)c(OC)c2)ccc1O

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found in taxon

Eutrema japonicum

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stated in

Wasabisides A-E, Lignan Glycosides from the Roots of Wasabia japonica.

Identifiers

InChI

InChI=1S/C26H32O12/c1-34-18-8-12(3-5-16(18)28)7-14-15(11-36-25(14)33)24(13-4-6-17(29)19(9-13)35-2)38-26-23(32)22(31)21(30)20(10-27)37-26/h3-6,8-9,14-15,20-24,26-32H,7,10-11H2,1-2H3/t14-,15+,20+,21+,22-,23+,24-,26-/m0/s1

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InChIKey

JVEJEOJOFBJWSQ-VFGFNLGMSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

JVEJEOJOFBJWSQ-VFGFNLGMSA-N

1 reference

(Q115972170)

(3S,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(R)-(4-hydroxy-3-methoxyphenyl)-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-one

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