| Name |
Theograndin I
(+)-Theograndin I |
| Formula |
C21H18O15S |
| Mw |
542.03664064 |
| CAS RN |
637004-62-7 |
| C_ID |
C00045107
, 
|
| InChIKey |
RUJCBFMBNQPWBK-ZBHUFVQZNA-N |
| InChICode |
InChI=1S/C21H18O15S/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)16(17(13)33-12)34-21-15(27)18(36-37(30,31)32)14(26)19(35-21)20(28)29/h1-6,14-15,18-19,21-23,25-27H,(H,28,29)(H,30,31,32)/t14-,15+,18-,19-,21+/m0/s1 |
| SMILES |
O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Malvaceae | Theobroma grandiflorum | Ref. |
|
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