(Q82873461)

English

2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-[3-(beta-D-glucopyranosyloxy)propyl]phenoxy]propyl]phenol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]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

stereoisomer of

2-Methoxy-4-[(1R,2R)-1,3-dihydroxy-2-[2-methoxy-4-[3-(beta-D-glucopyranosyloxy)propyl]phenoxy]propyl]phenol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[3-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₆O₁₂

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canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=CC=C(C=C2OC)CCCOC3OC(CO)C(O)C(O)C3O)CO

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isomeric SMILES

COC1=C(C=CC(=C1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H](CO)[C@H](C3=CC(=C(C=C3)O)OC)O

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found in taxon

Lonicera gracilipes

1 reference

stated in

Studies on the Constituents of Lonicera Species. X. Neolignan Glycosides from the Leaves of Lonicera gracilipes var. glandulosa MAXIM.

Salacia chinensis

1 reference

stated in

Chemical structures and hepatoprotective effects of constituents from the leaves of Salacia chinensis

Identifiers

InChI

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

NFUHNVZGHNEYRG-GKRKWVKGSA-N

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PubChem CID

21672401

1 reference

matched by identifier from

InChIKey

NFUHNVZGHNEYRG-GKRKWVKGSA-N

1 reference

1 reference

matched by identifier from

InChIKey

NFUHNVZGHNEYRG-GKRKWVKGSA-N

DSSTOX compound identifier

DTXCID201333369

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(Q82873461)

2-Methoxy-4-[(1S,2R)-1,3-dihydroxy-2-[2-methoxy-4-[3-(beta-D-glucopyranosyloxy)propyl]phenoxy]propyl]phenol

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