(Q115947054)

English

YXTDIKURRYLWJF-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₅H₇₄O₁₇

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Statements

group of stereoisomers

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chemical compound

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886.492600908 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₅H₇₄O₁₇

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canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2C(O)C(O)C(OC2OC3CC4(C)C(CC(O)C5C(CCC54C)C(O)(C)CCC=C(C)C)C6(C)CCC(O)C(C)(C)C36)CO)C(O)C(O)C1O

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1 reference

Profiling and multivariate statistical analysis of Panax ginseng based on ultra-high-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry.

Identifiers

InChI=1S/C45H74O17/c1-21(2)10-9-13-45(8,57)22-11-15-43(6)31(22)23(47)16-27-42(5)14-12-28(48)41(3,4)38(42)24(18-44(27,43)7)59-40-37(35(55)32(52)25(19-46)60-40)62-39-36(56)34(54)33(53)26(61-39)20-58-30(51)17-29(49)50/h10,22-28,31-40,46-48,52-57H,9,11-20H2,1-8H3,(H,49,50)

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YXTDIKURRYLWJF-UHFFFAOYSA-N

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