(Q105207718)

English

1-[8-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-3-methylnaphthalen-2-yl]ethanone

chemical compound

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instance of

type of chemical entity

0 references

1 reference

540.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[8-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-3-methylnaphthalen-2-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₁₃

0 references

canonical SMILES

O=C(C1=C(O)C=2C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=CC=CC2C=C1C)C

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isomeric SMILES

CC(=O)c1c(C)cc2cccc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)[C@@H]3O)c2c1O

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found in taxon

Rumex patientia

1 reference

stated in

Five naphthalene glycosides from the roots of Rumex patientia

Identifiers

InChI

InChI=1S/C25H32O13/c1-9-6-11-4-3-5-12(16(11)19(31)15(9)10(2)28)35-25-22(34)23(18(30)14(8-27)37-25)38-24-21(33)20(32)17(29)13(7-26)36-24/h3-6,13-14,17-18,20-27,29-34H,7-8H2,1-2H3/t13-,14+,17-,18-,20-,21-,22+,23-,24-,25-/m1/s1

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InChIKey

PFGAJVHSRWCMOQ-FBPPMINVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFGAJVHSRWCMOQ-FBPPMINVSA-N

(Q105207718)

1-[8-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-3-methylnaphthalen-2-yl]ethanone

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