| Name |
Theograndin II
(+)-Theograndin II |
| Formula |
C21H18O16S |
| Mw |
558.03155526 |
| CAS RN |
637004-63-8 |
| C_ID |
C00045108
, 
|
| InChIKey |
ZRZNGKWFMIBYEF-ZBHUFVQZNA-N |
| InChICode |
InChI=1S/C21H18O16S/c22-7-2-1-6(3-8(7)23)12-5-10(25)13-9(24)4-11(26)16(17(13)34-12)35-21-15(28)18(37-38(31,32)33)14(27)19(36-21)20(29)30/h1-5,14-15,18-19,21-24,26-28H,(H,29,30)(H,31,32,33)/t14-,15+,18-,19-,21+/m0/s1 |
| SMILES |
c1(cc(c2c(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O)oc(cc2=O)c1cc(c(cc1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Malvaceae | Theobroma grandiflorum | Ref. |
|
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