(Q104999554)

English

(2R,3S,4R,5R,6S)-2-[4-[(2R,3S)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

508.194461844 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2,3-Dihydro-2beta-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]-3beta-(hydroxymethyl)-5-(3-hydroxypropyl)benzofuran-7-ol

1 reference

based on heuristic

inferred from InChI

(2R)-2beta-[3-Methoxy-4-(beta-D-glucopyranosyloxy)phenyl]-5-(3-hydroxypropyl)-7-hydroxy-2,3-dihydrobenzofuran-3alpha-methanol

1 reference

based on heuristic

inferred from InChI

(2S)-2alpha-[3-Methoxy-4-(beta-D-glucopyranosyloxy)phenyl]-5-(3-hydroxypropyl)-7-hydroxy-2,3-dihydrobenzofuran-3beta-methanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₁₁

0 references

canonical SMILES

OC=1C=C(C=C2C1OC(C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(OC)=C3)C2CO)CCCO

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isomeric SMILES

COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Isodon lophanthoides

1 reference

stated in

Two new dihydrobenzofuran lignans from Rabdosia lophanthoides (Buch.-Ham.ex D.Don) Hara

Identifiers

InChI

InChI=1S/C25H32O11/c1-33-18-9-13(4-5-17(18)34-25-22(32)21(31)20(30)19(11-28)35-25)23-15(10-27)14-7-12(3-2-6-26)8-16(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m1/s1

0 references

InChIKey

FQDMAUIPHMDBJV-DWMUYBBQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FQDMAUIPHMDBJV-DWMUYBBQSA-N

(Q104999554)

(2R,3S,4R,5R,6S)-2-[4-[(2R,3S)-7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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