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(Q115947054)
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English
YXTDIKURRYLWJF-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₅H₇₄O₁₇
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
886.492600908
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₅H₇₄O₁₇
0 references
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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found in taxon
Panax ginseng
1 reference
stated in
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
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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InChIKey
YXTDIKURRYLWJF-UHFFFAOYSA-N
0 references
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