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Calythropsin
SpectraBase Compound ID 1mwvirBHWqm
InChI InChI=1S/C16H14O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h2-9,18-20H,1H3/b6-2+
InChIKey IULVGTQOZKYHCS-QHHAFSJGSA-N
Mol Weight 286.28 g/mol
Molecular Formula C16H14O5
Exact Mass 286.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCvAhSiB2Sz
Name Calythropsin
Alternate Name(s) (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)prop-2-en-1-one (E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one (E)-3-[3,4-bis(oxidanyl)phenyl]-1-(4-methoxy-2-oxidanyl-phenyl)prop-2-en-1-one
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Formula C16H14O5
InChI InChI=1S/C16H14O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h2-9,18-20H,1H3/b6-2+
InChIKey IULVGTQOZKYHCS-QHHAFSJGSA-N
Molecular Weight 286.283 g/mol
SMILES Oc1c(C(\C=C\c2ccc(c(c2)O)O)=O)ccc(c1)OC
SPLASH splash10-000b-0930000000-252ca062010da7b6885c
Source of Spectrum X2-56-1721-1
Wiley ID 1605140