(Q105144431)

English

(2S,3S,4R,5R,6S)-6-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-5-(hydroxymethyl)oxane-2,3,4-triol

chemical compound

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instance of

type of chemical entity

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subclass of

6-[4-[3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-5-(hydroxymethyl)oxane-2,3,4-triol

1 reference

based on heuristic

inferred from SMILES

mass

536.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₂

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C2OCC3C(OCC23O)C4=CC=C(OC5OC(O)C(O)C(O)C5CO)C(OC)=C4

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isomeric SMILES

COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@H]5O[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)c(OC)c4)OC[C@]23O)ccc1O

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found in taxon

Valeriana prionophylla

1 reference

stated in

New lignans from the roots of Valeriana prionophylla with antioxidative and vasorelaxant activities.

Identifiers

InChI

InChI=1S/C26H32O12/c1-33-18-8-13(3-5-16(18)28)23-26(32)11-36-22(15(26)10-35-23)12-4-6-17(19(7-12)34-2)37-25-14(9-27)20(29)21(30)24(31)38-25/h3-8,14-15,20-25,27-32H,9-11H2,1-2H3/t14-,15-,20-,21+,22-,23-,24+,25+,26-/m1/s1

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InChIKey

KPZWNZOLVDRTMM-YRDWWIAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KPZWNZOLVDRTMM-YRDWWIAGSA-N

(Q105144431)

(2S,3S,4R,5R,6S)-6-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-5-(hydroxymethyl)oxane-2,3,4-triol

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