(Q105215503)

English

(2S,3R,4S,5S,6R)-2-[[(1S,3R,3aS,4S,6S,6aS)-3-hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-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-[[3-Hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

552.184291084 dalton

1 reference

1 reference

inferred from InChIKey

(2S,3R,4S,5R,6R)-2-[[(1S,3R,3aS,4S,6S,6aS)-3-hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₁₃

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C2OC(O)C3C(OC(OC4OC(CO)C(O)C(O)C4O)C23)C5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4ccc(O)c(OC)c4)O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]23)ccc1O

0 references

found in taxon

Lactuca indica

2 references

stated in

Antidiabetic dimeric guianolides and a lignan glycoside from Lactuca indica

stated in

Antidiabetic dimeric guianolides and a lignan glycoside from Lactuca indica

Lactuca sibirica

2 references

stated in

Lignans and sesquiterpenoids from Lactuca sibirica.

stated in

Lignans and sesquiterpenoids from Lactuca sibirica.

Identifiers

InChI

InChI=1S/C26H32O13/c1-34-14-7-10(3-5-12(14)28)22-17-18(23(37-24(17)33)11-4-6-13(29)15(8-11)35-2)25(38-22)39-26-21(32)20(31)19(30)16(9-27)36-26/h3-8,16-33H,9H2,1-2H3/t16-,17+,18+,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1

0 references

InChIKey

PVLQCQIILHIDGG-BFDPLWEFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105215503)

(2S,3R,4S,5S,6R)-2-[[(1S,3R,3aS,4S,6S,6aS)-3-hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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