(Q105385386)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[4-hydroxy-4-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxyoxan-2-yl]methyl 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(OCC1OC(OC2C=CC(O)(C=C2)C=3OC4=CC(OC)=CC(O)=C4C(=O)C3)C(O)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](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)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(25)33-10-17-20(28)21(29)22(30)23(36-17)34-12-3-5-24(31,6-4-12)18-9-15(27)19-14(26)7-13(32-2)8-16(19)35-18/h3-9,12,17,20-23,26,28-31H,10H2,1-2H3/t12-,17-,20-,21+,22-,23-,24-/m1/s1

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InChIKey

ZXCBCVFBYYTMQQ-SHYHHOGCSA-N

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(Q105385386)

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

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