| Name |
Isoprebetanin |
| Formula |
C24H26N2O16S |
| Mw |
630.10030353 |
| CAS RN |
13798-44-2 |
| C_ID |
C00059786
|
| InChIKey |
WAVKJVFFCMUVGK-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,27-30H,4-5,8H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38,39) |
| SMILES |
O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(O)c(OC4OC(COS(=O)(=O)O)C(O)C(O)C4O)cc3CC2C(=O)O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllales | Beta vulgaris  | Ref. |
|
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