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Myricetin 3-O-alpha-rhamnosyl(1->3)-beta-galactoside
SpectraBase Compound ID K8SPxPJkh4H
InChI InChI=1S/C27H30O17/c1-7-16(33)24(43-26-21(38)20(37)18(35)14(6-28)42-26)22(39)27(40-7)44-25-19(36)15-10(30)4-9(29)5-13(15)41-23(25)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,24,26-35,37-39H,6H2,1H3/t7-,14+,16-,18-,20-,21+,22+,24+,26-,27-/m0/s1
InChIKey FSGLTJIAFLSKSG-FNHDBYCNSA-N
Mol Weight 626.52 g/mol
Molecular Formula C27H30O17
Exact Mass 626.148299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWN9eJWWoWa
Name Myricetin 3-O-alpha-rhamnosyl(1->3)-beta-galactoside
Alternate Name(s) 3-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O17
InChI InChI=1S/C27H30O17/c1-7-16(33)24(43-26-21(38)20(37)18(35)14(6-28)42-26)22(39)27(40-7)44-25-19(36)15-10(30)4-9(29)5-13(15)41-23(25)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,24,26-35,37-39H,6H2,1H3/t7-,14+,16-,18-,20-,21+,22+,24+,26-,27-/m0/s1
InChIKey FSGLTJIAFLSKSG-FNHDBYCNSA-N
Literature Reference DOI 10.1002/jccs.200500029
Molecular Weight 626.520 g/mol
SMILES Oc1cc(C2=C(O[C@@]3(O[C@]([C@@]([C@@](O[C@]4([C@@]([C@]([C@]([C@](O4)(CO)[H])(O)[H])(O)[H])(O)[H])[H])([C@]3(O)[H])[H])(O)[H])(C)[H])[H])C(c3c(cc(cc3O2)O)O)=O)cc(c1O)O
SPLASH splash10-014i-1927000000-6a62f208bf9a8f9a7bbe
Source of Spectrum QA-52-206-3
Wiley ID 1796085