| Name |
Aureobasidin S4 |
| Formula |
C60H92N8O12 |
| Mw |
1116.68347046 |
| CAS RN |
153954-75-7 |
| C_ID |
C00016879
, 
|
| InChIKey |
AUIRGWHYLWLLAZ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C60H92N8O12/c1-17-37(8)46-57(76)65(14)47(35(4)5)52(71)61-42(31-34(2)3)55(74)67(16)50(60(11,12)79)59(78)80-49(38(9)39(10)69)58(77)66(15)48(36(6)7)53(72)62-43(32-40-25-20-18-21-26-40)54(73)64(13)45(33-41-27-22-19-23-28-41)56(75)68-30-24-29-44(68)51(70)63-46/h18-23,25-28,34-39,42-50,69,79H,17,24,29-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38+,39-,42+,43+,44-,45-,46+,47+,48-,49-,50-/m1/s1 |
| SMILES |
C1(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N2[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H]1CC(C)C)C(C)C)C)[C@@H](CC)C)CCC2)Cc1ccccc1)C)Cc1ccccc1)C(C)C)C)[C@@H](C)[C@H](O)C)C(C)(C)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Asp IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Dothioraceae | Aureobasidium pullulans R106 | Ref. |
|
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