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(Q59116673)
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English
Micromelone A
new polypropionate metabolites from Micromelo undata
Pentanoic acid, 2-methyl-3-oxo-, 5-(acetyloxy)-2,4-dimethyl-1-(1-methyl-2-oxobutyl)-3-oxoheptyl ester, (+)-
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Statements
instance of
group of stereoisomers
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subclass of
polypropionate
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chemical structure
Micromelone A.svg
220 × 187; 22 KB
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mass
412.524
gram per mole
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chemical formula
C₂₂H₃₆O₇
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based on heuristic
inferred from SMILES
canonical SMILES
O=C(OC(CC)C(C(=O)C(C)C(OC(=O)C(C(=O)CC)C)C(C(=O)CC)C)C)C
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described by source
Micromelones A and B, noncontiguous polypropionates from Micromelo undata.
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Identifiers
InChI
InChI=1S/C22H36O7/c1-9-17(24)12(4)21(29-22(27)13(5)18(25)10-2)15(7)20(26)14(6)19(11-3)28-16(8)23/h12-15,19,21H,9-11H2,1-8H3
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InChIKey
BXPUQZCMXTUGDK-UHFFFAOYSA-N
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CAS Registry Number
1008165-58-9
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Reaxys registry number
18617876
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