(Q115947357)

English

JSDOSZSXIGCQMO-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₆

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Statements

group of stereoisomers

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chemical compound

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896.513336352 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₇H₇₆O₁₆

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(C)C(O)C(OC8OC(C)C(O)C(O)C8O)C7O)C(C)(CO)C5CCC4(C)C3(C)CC1

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Sapindus mukorossi

1 reference

Rapid identification and analysis of the major chemical constituents from the fruits of Sapindus mukorossi by HPLC-ESI-QTOF-MS/MS

Identifiers

InChI=1S/C47H76O16/c1-22-30(50)33(53)34(54)38(59-22)62-36-31(51)23(2)60-39(35(36)55)63-37-32(52)26(49)20-58-40(37)61-29-12-13-43(5)27(44(29,6)21-48)11-14-46(8)28(43)10-9-24-25-19-42(3,4)15-17-47(25,41(56)57)18-16-45(24,46)7/h9,22-23,25-40,48-55H,10-21H2,1-8H3,(H,56,57)

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JSDOSZSXIGCQMO-UHFFFAOYSA-N

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