input word = C00006071

Metabolite InformationStructural formula
Name Rhamnetin 3'-glucuronide-3,5,4'-trisulfate
Formula C22H20O22S3
Mw 731.96083452
CAS RN 55196-43-5
C_ID C00006071 ,
InChIKey BDLZZWXHVPQDMW-JFDJYVSTNA-N
InChICode InChI=1S/C22H20O22S3/c1-38-8-5-11-13(12(6-8)43-46(32,33)34)14(23)19(44-47(35,36)37)18(39-11)7-2-3-9(42-45(29,30)31)10(4-7)40-22-17(26)15(24)16(25)20(41-22)21(27)28/h2-6,15-17,20,22,24-26H,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/t15-,16-,17+,20-,22+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix aphylla Ref.
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