| Name |
(S)-3'-Hydroxyepiglucoisatisin
3'-Hydroxyepiglucoisatisin |
| Formula |
C21H26N2O13S2 |
| Mw |
578.08763039 |
| CAS RN |
398478-44-9 |
| C_ID |
C00026993
, 
|
| InChIKey |
AQPPOCSFZKVLSF-HRUSBTFNNA-N |
| InChICode |
InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33)/b23-14+/t10-,13+,16+,17-,18+,19-,21+/m0/s1 |
| SMILES |
c1ccc2c(c1)NC(=O)[C@]2(CC(=O)O[C@H](C/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C=C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Isatis tinctoria L  | Ref. |
|
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