(Q105143306)

English

[6-[5-Acetyloxy-3-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

group of stereoisomers with the chemical formula C₄₃H₅₄O₂₂

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Statements

instance of

group of stereoisomers

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1 reference

8C-substituted flavone

1 reference

inferred from

8C-substituted flavone

mass

922.3106733680007 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₅₄O₂₂

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(OC=3C(=O)C4=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C(=C4OC3C=6C=CC(OC)=CC6)CC=C(C)C)OC(C)C2OC(=O)C)C(O)C(O)C1O)C

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Identifiers

InChI

InChI=1S/C43H54O22/c1-16(2)7-12-22-24(60-41-33(53)31(51)28(48)25(14-44)61-41)13-23(47)27-30(50)39(37(63-38(22)27)20-8-10-21(56-6)11-9-20)64-43-35(55)40(36(17(3)58-43)59-19(5)46)65-42-34(54)32(52)29(49)26(62-42)15-57-18(4)45/h7-11,13,17,25-26,28-29,31-36,40-44,47-49,51-55H,12,14-15H2,1-6H3

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InChIKey

KNAXSPPRLXJPMK-UHFFFAOYSA-N

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PubChem CID

74978144

1 reference

based on heuristic

inferred from InChIKey

(Q105143306)

[6-[5-Acetyloxy-3-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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