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1-(2,4,6-Trihydroxy-5-(carboxy)phenyl)-3-(3-hydroxy-4-methoxyphenyl)propanone
SpectraBase Compound ID 28wJAvkwdTR
InChI InChI=1S/C17H16O8/c1-25-13-5-3-8(6-10(13)19)2-4-9(18)14-11(20)7-12(21)15(16(14)22)17(23)24/h3,5-7,19-22H,2,4H2,1H3,(H,23,24)
InChIKey SMTLVNOHUDWEJF-UHFFFAOYSA-N
Mol Weight 348.31 g/mol
Molecular Formula C17H16O8
Exact Mass 348.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDP2eke7Isg
Name 1-(2,4,6-Trihydroxy-5-(carboxy)phenyl)-3-(3-hydroxy-4-methoxyphenyl)propanone
Alternate Name(s) 2,4,6-trihydroxy-3-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O8
InChI InChI=1S/C17H16O8/c1-25-13-5-3-8(6-10(13)19)2-4-9(18)14-11(20)7-12(21)15(16(14)22)17(23)24/h3,5-7,19-22H,2,4H2,1H3,(H,23,24)
InChIKey SMTLVNOHUDWEJF-UHFFFAOYSA-N
Molecular Weight 348.307 g/mol
SMILES Oc1cc(CCC(c2c(c(c(cc2O)O)C(=O)O)O)=O)ccc1OC
SPLASH splash10-0udr-0900000000-89fa6d0b82e68a32eaef
Source of Spectrum O-26-45-4
Wiley ID 1340443