(Q105024481)

English

[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-5-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-[(3-hydroxy-2-methylpropanoyl)oxymethyl]oxan-2-yl]oxyoxan-3-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₄₂H₅₄O₂₄

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instance of

group of stereoisomers

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1 reference

942.8654 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₄O₂₄

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(OC(OC3=CC(O)=C4C(=O)C(OC5OC(CO)C(O)C(O)C5O)=C(OC4=C3)C=6C=CC(O)=C(O)C6)C2OC(=O)C(C)CC)C)C(O)C(O)C1O)C(C)CO

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Identifiers

InChI

InChI=1S/C42H54O24/c1-5-14(2)39(57)64-37-35(65-41-33(55)31(53)28(50)24(63-41)13-58-38(56)15(3)11-43)26(48)16(4)59-42(37)60-18-9-21(47)25-22(10-18)61-34(17-6-7-19(45)20(46)8-17)36(29(25)51)66-40-32(54)30(52)27(49)23(12-44)62-40/h6-10,14-16,23-24,26-28,30-33,35,37,40-50,52-55H,5,11-13H2,1-4H3

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InChIKey

GZNYTDCXOMAFRS-UHFFFAOYSA-N

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PubChem CID

162946848

1 reference

based on heuristic

inferred from InChIKey

(Q105024481)

[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-5-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-[(3-hydroxy-2-methylpropanoyl)oxymethyl]oxan-2-yl]oxyoxan-3-yl] 2-methylbutanoate

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