(Q105228527)

English

(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[4-[3-(hydroxymethyl)-7-(3-hydroxyprop-1-enyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

536.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₁₂

0 references

canonical SMILES

OCC=CC1=CC(OC)=C2OC(CO)C(OC2=C1)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(OC)=C3

0 references

isomeric SMILES

COc1cc([C@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@@H]2CO)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Pedicularis verticillata

1 reference

stated in

Neolignan, phenylpropanoid and iridoid glycosides from Pedicularis verticillata

Identifiers

InChI

InChI=1S/C26H32O12/c1-33-16-10-14(5-6-15(16)37-26-23(32)22(31)21(30)19(11-28)38-26)24-20(12-29)36-25-17(34-2)8-13(4-3-7-27)9-18(25)35-24/h3-6,8-10,19-24,26-32H,7,11-12H2,1-2H3/b4-3+/t19-,20+,21-,22+,23-,24+,26-/m0/s1

0 references

InChIKey

QVAKSKUIUSYRJL-DLTFMHCXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVAKSKUIUSYRJL-DLTFMHCXSA-N

(Q105228527)

(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol

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