(Q110194659)

English

[4,5-Diacetyloxy-6-[[3,4-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-5-hydroxyoxan-2-yl]methoxy]-2-methyloxan-3-yl] acetate

group of stereoisomers with the chemical formula C₃₇H₄₀O₂₁

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

820.2062083 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₀O₂₁

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canonical SMILES

O=C(OC1C(OCC2OC(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=C(O)C5)C(O)C(OC(=O)C)C2OC(=O)C)OC(C)C(OC(=O)C)C1OC(=O)C)C

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found in taxon

Schenkia spicata

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stated in

Anticomplement and antioxidant activities of new acetylated flavonoid glycosides from Centaurium spicatum

Identifiers

InChI

InChI=1S/C37H40O21/c1-13-29(51-14(2)38)34(54-17(5)41)35(55-18(6)42)37(50-13)49-12-25-31(52-15(3)39)33(53-16(4)40)28(48)36(57-25)58-32-27(47)26-23(46)10-20(43)11-24(26)56-30(32)19-7-8-21(44)22(45)9-19/h7-11,13,25,28-29,31,33-37,43-46,48H,12H2,1-6H3

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InChIKey

XUHQSFQPYKAQQM-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110194659)

[4,5-Diacetyloxy-6-[[3,4-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-5-hydroxyoxan-2-yl]methoxy]-2-methyloxan-3-yl] acetate

Statements

Identifiers

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