(Q105249495)

English

[(2R,3R,4S,5S,6S)-3-acetyloxy-2-[[(2S,3S,4S,5S,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-methyloxan-4-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[3-Acetyloxy-2-[[6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-methyloxan-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

678.179599628 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5,6,4'-Trihydroxy-7-[6-O-(2-O,3-O-diacetyl-alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy]flavone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₄O₁₇

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canonical SMILES

O=C(OC1C(OCC2OC(OC=3C=C4OC(=CC(=O)C4=C(O)C3O)C=5C=CC(O)=CC5)C(O)C(O)C2O)OC(C)C(O)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](O)[C@H](C)O[C@@H](OC[C@@H]2O[C@@H](Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1OC(C)=O

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found in taxon

Scoparia dulcis

1 reference

stated in

Acetylated flavonoid glycosides potentiating NGF action from Scoparia dulcis

Identifiers

InChI

InChI=1S/C31H34O17/c1-11-22(36)28(44-12(2)32)29(45-13(3)33)31(43-11)42-10-20-24(38)26(40)27(41)30(48-20)47-19-9-18-21(25(39)23(19)37)16(35)8-17(46-18)14-4-6-15(34)7-5-14/h4-9,11,20,22,24,26-31,34,36-41H,10H2,1-3H3/t11-,20-,22-,24+,26-,27-,28-,29+,30+,31+/m0/s1

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InChIKey

SBKDMCQRDPOEID-MDBXIAPUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105249495)

[(2R,3R,4S,5S,6S)-3-acetyloxy-2-[[(2S,3S,4S,5S,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-methyloxan-4-yl] acetate

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