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naringenin, 3TMS
SpectraBase Compound ID 6D3Kjpo5f5H
InChI InChI=1S/C24H36O5Si3/c1-30(2,3)27-18-12-10-17(11-13-18)21-16-20(25)24-22(26-21)14-19(28-31(4,5)6)15-23(24)29-32(7,8)9/h10-15,21H,16H2,1-9H3/t21-/m0/s1
InChIKey ZMEWYEXWOABPGS-NRFANRHFSA-N
Mol Weight 488.8 g/mol
Molecular Formula C24H36O5Si3
Exact Mass 488.187054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BExVBP3m4dF
Name naringenin, 3TMS
Comments Derivatization type: 3 TMS (mass: 488.187); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000405; Note: The molecular formula of the structure shown is C15H12O5 - which differs from the formula reported for the mass spectrum (C24H36O5Si3)
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Formula C24H36O5Si3
InChI InChI=1S/C24H36O5Si3/c1-30(2,3)27-18-12-10-17(11-13-18)21-16-20(25)24-22(26-21)14-19(28-31(4,5)6)15-23(24)29-32(7,8)9/h10-15,21H,16H2,1-9H3/t21-/m0/s1
InChIKey ZMEWYEXWOABPGS-NRFANRHFSA-N
Molecular Weight 488.802 g/mol
SMILES c1cc(ccc1[C@@]1(CC(c2c(cc(cc2O1)O[Si](C)(C)C)O[Si](C)(C)C)=O)[H])O[Si](C)(C)C
SPLASH splash10-0a4r-2961200000-5b5c07ed32b48a5647cd
Source of Spectrum FM-2019-405-0
Synonyms naringetol, 3TMS pelargidanon, 3TMS salipurpol, 3TMS Naringenine, 3TMS Salipurol, 3TMS (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one, 3TMS (S)-5,7-bis((trimethylsilyl)oxy)-2-(4-((trimethylsilyl)oxy)phenyl)chroman-4-one
Wiley ID 1818092