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Takakin 8-O-.beta.-D-glucuronide 2"-sodium sulphate
SpectraBase Compound ID 3N9PElW9NT6
InChI InChI=1S/C22H20O15S.Na/c1-33-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)17(18(14)34-13)35-22-20(37-38(30,31)32)16(27)15(26)19(36-22)21(28)29;/h2-7,15-16,19-20,22-23,25-27H,1H3,(H,28,29)(H,30,31,32);/q;+1/p-1/t15-,16-,19-,20+,22+;/m0./s1
InChIKey YNIQMBIKXJQIQA-UHFFFAOYSA-M
Mol Weight 578.43 g/mol
Molecular Formula C22H19NaO15S
Exact Mass 578.034235 g/mol
Parent InChIKey XRHYTEAKTRSKAB-LQKXZRDHSA-M
Enantiomer InChIKey YNIQMBIKXJQIQA-HRNZSKTESA-M
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Source of Spectrum H1-38-1403-3
  • Takakin 8-O-.beta.-D-glucuronide 2''-sodium sulphate

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