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Cercophorin A
SpectraBase Compound ID 3YFJTjE8XQ3
InChI InChI=1S/C20H16O9/c1-8-4-9-5-12(21)16(17(23)14(9)20(26)29-8)18(24)15-11(19(25)28-3)6-10(27-2)7-13(15)22/h4-7,21-23H,1-3H3
InChIKey MYFOFPHZNZXXJC-UHFFFAOYSA-N
Mol Weight 400.34 g/mol
Molecular Formula C20H16O9
Exact Mass 400.079432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OqFQO1lH06
Name Cercophorin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O9
InChI InChI=1S/C20H16O9/c1-8-4-9-5-12(21)16(17(23)14(9)20(26)29-8)18(24)15-11(19(25)28-3)6-10(27-2)7-13(15)22/h4-7,21-23H,1-3H3
InChIKey MYFOFPHZNZXXJC-UHFFFAOYSA-N
Molecular Weight 400.339 g/mol
SMILES Oc1cc(cc(c1C(c1c(cc2C=C(OC(c2c1O)=O)C)O)=O)C(=O)OC)OC
SPLASH splash10-052f-0079000000-1bf26798c4146c0958e4
Source of Spectrum G4-59-769-3
Synonyms 2-[(6,8-dihydroxy-3-methyl-1-oxo-2-benzopyran-7-yl)-oxomethyl]-3-hydroxy-5-methoxybenzoic acid methyl ester Methyl 2-(6,8-dihydroxy-3-methyl-1-oxoisochromene-7-carbonyl)-3-hydroxy-5-methoxybenzoate Methyl 2-(6,8-dihydroxy-3-methyl-1-oxo-isochromene-7-carbonyl)-3-hydroxy-5-methoxy-benzoate Methyl 5-methoxy-2-[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-isochromen-7-yl]carbonyl-3-oxidanyl-benzoate
Wiley ID 1606393