(Q104914439)

English

(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

540.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₁₂

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canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=CC=C(C=C2OC)CCCO)COC3OC(CO)C(O)C(O)C3O

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isomeric SMILES

COc1cc([C@@H](O)[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc(CCCO)cc2OC)ccc1O

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found in taxon

Pinus massoniana

1 reference

stated in

The Constituents of Conifer Needles. Dilignol Glycosides from Pinus massoniana Lamb.

Identifiers

InChI

InChI=1S/C26H36O12/c1-34-18-11-15(6-7-16(18)29)22(30)21(13-36-26-25(33)24(32)23(31)20(12-28)38-26)37-17-8-5-14(4-3-9-27)10-19(17)35-2/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21+,22-,23-,24+,25-,26-/m1/s1

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InChIKey

ALYNPVYOZBYRJK-HXBYHMEXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ALYNPVYOZBYRJK-HXBYHMEXSA-N

(Q104914439)

(2R,3R,4S,5S,6R)-2-[(2S,3R)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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