(Q105002080)

English

(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1r,4r)-4-hydroxy-4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxan-3-yl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

4,5-dihydroxy-2-{[4-hydroxy-4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}-6-(hydroxymethyl)oxan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

506.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₆O₁₂

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canonical SMILES

O=C(OC1C(OC2C=CC(O)(C=C2)C=3OC4=CC(OC)=CC(O)=C4C(=O)C3)OC(CO)C(O)C1O)C

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isomeric SMILES

COc1cc(O)c2c(=O)cc([C@]3(O)C=C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(C)=O)C=C3)oc2c1

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found in taxon

Pseudophegopteris subaurita

1 reference

stated in

Chemical and chemotaxonomical studies of ferns. LXXIII. New flavonoids with modified B-ring from the genus Pseudophegopteris(Thelypteridaceae).

Identifiers

InChI

InChI=1S/C24H26O12/c1-11(26)33-22-21(30)20(29)17(10-25)36-23(22)34-12-3-5-24(31,6-4-12)18-9-15(28)19-14(27)7-13(32-2)8-16(19)35-18/h3-9,12,17,20-23,25,27,29-31H,10H2,1-2H3/t12-,17-,20-,21+,22-,23-,24-/m1/s1

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InChIKey

FUVPZBDBYVKXLS-SHYHHOGCSA-N

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(Q105002080)

(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1r,4r)-4-hydroxy-4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxan-3-yl acetate

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Identifiers

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