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(Q105248891)
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English
3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
group of stereoisomers with the chemical formula C₂₁H₃₀O₆
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
378.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₆
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canonical SMILES
O=C(C=1C(=O)C(O)(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)CC(C)C
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Identifiers
InChI
InChI=1S/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,25-27H,8,10-11H2,1-6H3
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InChIKey
SAIULYGEZGWEDU-UHFFFAOYSA-N
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Human Metabolome Database ID
HMDB0030105
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SAIULYGEZGWEDU-UHFFFAOYSA-N
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