(Q104908540)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

552.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₃

0 references

canonical SMILES

OC=1C=C(C=C(OC)C1O)C2OCC3C(OC(O)C23)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4

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isomeric SMILES

COc1cc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4cc(O)c(O)c(OC)c4)OC[C@H]23)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Ligularia virgaurea

1 reference

stated in

Sesquiterpenoids and Lignans fromLigularia virgaurea spp.oligocephala

Identifiers

InChI

InChI=1S/C26H32O13/c1-34-15-6-10(3-4-14(15)37-26-22(32)21(31)20(30)17(8-27)38-26)23-12-9-36-24(18(12)25(33)39-23)11-5-13(28)19(29)16(7-11)35-2/h3-7,12,17-18,20-33H,8-9H2,1-2H3/t12-,17+,18-,20+,21-,22+,23+,24+,25+,26+/m0/s1

0 references

InChIKey

ABDOULSAGVNIDA-CZFWVKPWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ABDOULSAGVNIDA-CZFWVKPWSA-N

(Q104908540)

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

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