| Name |
Quercetin 3-glucuronide-3'-sulfate |
| Formula |
C21H18O16S |
| Mw |
558.03155526 |
| CAS RN |
|
| C_ID |
C00006070
, 
|
| InChIKey |
BHFKPZSIVFOJEX-NTEJZTTHNA-N |
| InChICode |
InChI=1S/C21H18O16S/c22-7-4-9(24)12-11(5-7)34-17(6-1-2-8(23)10(3-6)37-38(31,32)33)18(13(12)25)35-21-16(28)14(26)15(27)19(36-21)20(29)30/h1-5,14-16,19,21-24,26-28H,(H,29,30)(H,31,32,33)/t14-,15+,16-,19+,21-/m1/s1 |
| SMILES |
O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(OS(=O)(=O)O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hypericaceae | Hypericum elodes  | Ref. |
|
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