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Cladobotrin III
SpectraBase Compound ID DYzVBqonOS4
InChI InChI=1S/C12H12O6/c1-7-11(17-3)8(6-13)9(18-12(7)15)4-5-10(14)16-2/h4-6H,1-3H3/b5-4+
InChIKey AOUIWFQBPLFLEE-SNAWJCMRSA-N
Mol Weight 252.22 g/mol
Molecular Formula C12H12O6
Exact Mass 252.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nlWLSF9yA9
Name Cladobotrin III
Alternate Name(s) (E)-3-(3-formyl-4-methoxy-5-methyl-6-oxo-2-pyranyl)-2-propenoic acid methyl ester Methyl (E)-3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate Methyl (E)-3-(3-formyl-4-methoxy-5-methyl-6-oxo-pyran-2-yl)prop-2-enoate Methyl (E)-3-(3-methanoyl-4-methoxy-5-methyl-6-oxidanylidene-pyran-2-yl)prop-2-enoate
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Formula C12H12O6
InChI InChI=1S/C12H12O6/c1-7-11(17-3)8(6-13)9(18-12(7)15)4-5-10(14)16-2/h4-6H,1-3H3/b5-4+
InChIKey AOUIWFQBPLFLEE-SNAWJCMRSA-N
Molecular Weight 252.222 g/mol
SMILES C=1(C(=C(C)C(OC1\C=C\C(=O)OC)=O)OC)C=O
SPLASH splash10-006x-0950000000-e284edaaa8fe0ac4d7da
Source of Spectrum E1-42-2616-3
Wiley ID 1552794