| Name |
Penisimplicin B |
| Formula |
C28H38O8 |
| Mw |
502.25666819 |
| CAS RN |
871334-31-5 |
| C_ID |
C00030957
, 
|
| InChIKey |
CXIBGLGUMUUSBO-WTZFSIPFNA-N |
| InChICode |
InChI=1S/C28H38O8/c1-9-17(30)28(8)23(34)27(7)19(32)12-16-25(5)11-10-18(31)24(3,4)15(25)13-20(35-14(2)29)26(16,6)21(27)22(33)36-28/h15-16,20-21H,9-13H2,1-8H3/t15-,16+,20-,21-,25-,26-,27-,28-/m0/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]4C[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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