| Name |
Spinacetin 3-O-sulfate |
| Formula |
C17H14O11S |
| Mw |
426.02568202 |
| CAS RN |
111348-30-2 |
| C_ID |
C00004982
, 
|
| InChIKey |
HCHZZIMVIOVUJX-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C17H14O11S/c1-25-10-5-7(3-4-8(10)18)15-17(28-29(22,23)24)14(21)12-11(27-15)6-9(19)16(26-2)13(12)20/h3-6,18-20H,1-2H3,(H,22,23,24) |
| SMILES |
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OS(=O)(=O)O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Flaveria chloraefolia | Ref. |
|
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