(Q105282242)

English

(2S,3R,4R,5R,6S)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]phenoxy]-6-methyloxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]phenoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

476.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₉

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canonical SMILES

OCCCC1=CC(OC)=C2OC(C3=CC=C(OC4OC(C)C(O)C(O)C4O)C=C3)C(C2=C1)CO

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isomeric SMILES

COc1cc(CCCO)cc2c1O[C@@H](c1ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc1)[C@H]2CO

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found in taxon

Betula pendula

1 reference

stated in

Lignan glycosides from inner bark of Betula pendula

Identifiers

InChI

InChI=1S/C25H32O9/c1-13-20(28)21(29)22(30)25(32-13)33-16-7-5-15(6-8-16)23-18(12-27)17-10-14(4-3-9-26)11-19(31-2)24(17)34-23/h5-8,10-11,13,18,20-23,25-30H,3-4,9,12H2,1-2H3/t13-,18-,20-,21+,22+,23-,25-/m0/s1

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InChIKey

UZKFZGJIIPOGLV-WOXHNLKXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UZKFZGJIIPOGLV-WOXHNLKXSA-N

(Q105282242)

(2S,3R,4R,5R,6S)-2-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]phenoxy]-6-methyloxane-3,4,5-triol

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Identifiers

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