(Q105025610)

English

2-Methoxy-4-[[(2S)-3beta-[(beta-D-glucopyranosyloxy)methyl]-7-methoxy-5-[(E)-3-hydroxy-1-propenyl]-2,3-dihydrobenzofuran]-2alpha-yl]phenol

chemical compound

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instance of

type of chemical entity

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subclass of

2-{[2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxyprop-1-en-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

520.194461844 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[2beta-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxy-1-propenyl)-7-methoxy-2,3-dihydrobenzofuran-3alpha-yl]methyl beta-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₁₁

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canonical SMILES

OC1=CC=C(C=C1OC)C2OC3=C(OC)C=C(C=CCO)C=C3C2COC4OC(CO)C(O)C(O)C4O

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isomeric SMILES

COc1cc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O

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found in taxon

Arum italicum

1 reference

stated in

Dihydrobenzofuran Neolignans from Arum italicum

Verbascum thapsus

1 reference

stated in

Phenylethanoid and lignan glycosides from Verbascum thapsus

Isatis quadrialata

1 reference

stated in

Dihydrobenzofuran lignans from Boreava orientalis

Identifiers

InChI

InChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3+/t16-,20+,21+,22-,23+,24+,26+/m0/s1

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InChIKey

HCCQMPYJVVKWJT-QXGRHDLQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCCQMPYJVVKWJT-QXGRHDLQSA-N

1 reference

(Q105025610)

2-Methoxy-4-[[(2S)-3beta-[(beta-D-glucopyranosyloxy)methyl]-7-methoxy-5-[(E)-3-hydroxy-1-propenyl]-2,3-dihydrobenzofuran]-2alpha-yl]phenol

Statements

Identifiers

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