(Q104994471)

English

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-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-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

502.147511652 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₆O₁₁

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canonical SMILES

O=C(OCC1OC(OC=2C=CC=3C=C(C4=CC=5OCOC5C=C4OC)COC3C2)C(O)C(O)C1O)C

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isomeric SMILES

COc1cc2c(cc1C1=Cc3ccc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3OC1)OCO2

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found in taxon

Cicer judaicum

1 reference

stated in

Isoflavenes from the roots of Cicer judaicum

Cicer pinnatifidum

1 reference

stated in

Isoflavenes from the roots of Cicer judaicum

Identifiers

InChI

InChI=1S/C25H26O11/c1-12(26)31-10-21-22(27)23(28)24(29)25(36-21)35-15-4-3-13-5-14(9-32-17(13)6-15)16-7-19-20(34-11-33-19)8-18(16)30-2/h3-8,21-25,27-29H,9-11H2,1-2H3/t21-,22-,23+,24-,25-/m1/s1

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InChIKey

FFIZWGZANYMQEF-NHTNDUFYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104994471)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxan-2-yl]methyl acetate

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Identifiers

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