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Limocitrin
SpectraBase Compound ID t0wGfM9Tv0
InChI InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
InChIKey IBXCKSUZOFKGSB-UHFFFAOYSA-N
Mol Weight 346.29 g/mol
Molecular Formula C17H14O8
Exact Mass 346.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LhbyCKjkYR
Name Limocitrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O8
InChI InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
InChIKey IBXCKSUZOFKGSB-UHFFFAOYSA-N
Molecular Weight 346.291 g/mol
SMILES OC=1C(c2c(cc(c(c2OC1c1cc(OC)c(cc1)O)OC)O)O)=O
SPLASH splash10-001j-1009000000-13923736cdb3ff9ed93a
Source of Spectrum X4-21-181-0
Synonyms 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-8-methoxy-chromen-4-one 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-8-methoxy-chromone 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-1-benzopyran-4-one 8-Methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3,5,7-tris(oxidanyl)chromen-4-one
Wiley ID 1585783