| Name |
Roquefortine E |
| Formula |
C27H31N5O2 |
| Mw |
457.24777527 |
| CAS RN |
871982-52-4 |
| C_ID |
C00042921
, 
|
| InChIKey |
YOEIOWQHMDDCDD-RKYWWVFINA-N |
| InChICode |
InChI=1S/C27H31N5O2/c1-7-25(3,4)21-18(28-15-29-21)13-19-23(34)32-20(22(33)30-19)14-27(26(5,6)8-2)16-11-9-10-12-17(16)31-24(27)32/h7-13,15,20,24,31H,1-2,14H2,3-6H3,(H,28,29)(H,30,33)/b19-13+/t20-,24-,27+/m0/s1 |
| SMILES |
[C@@H]12N(C(=O)/C(=C\c3[nH]cnc3C(C=C)(C)C)/NC1=O)[C@H]1[C@@](C2)(c2c(N1)cccc2)C(C)(C)C=C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Anthranilate L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Gymnoascaceae | Gymnoascus reessii | Ref. |
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