| Name |
Penisimplicin A |
| Formula |
C30H40O10 |
| Mw |
560.2621475 |
| CAS RN |
871334-30-4 |
| C_ID |
C00030956
, 
|
| InChIKey |
CDKPISZELKSHEJ-RIHLHFBQNA-N |
| InChICode |
InChI=1S/C30H40O10/c1-10-17(33)30(9)25(37)29(8)19(35)13-16-27(6)12-11-18(34)26(4,5)21(27)20(38-14(2)31)23(39-15(3)32)28(16,7)22(29)24(36)40-30/h16,20-23H,10-13H2,1-9H3/t16-,20-,21+,22+,23+,27-,28-,29+,30+/m1/s1 |
| SMILES |
CCC(=O)[C@]1(C)OC(=O)[C@@H]2[C@](C)(C(=O)C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]23C)C1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Trichocomaceae | Penicillium simplicissimum | Ref. |
|
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