| Name |
Aureobasidin U1 |
| Formula |
C59H90N8O11 |
| Mw |
1086.67290578 |
| CAS RN |
153980-77-9 |
| C_ID |
C00016538
, 
|
| InChIKey |
YHCIIZLGVVYJAF-WYDQGIOTNA-N |
| InChICode |
InChI=1S/C59H90N8O11/c1-16-37(9)46-57(75)65(14)47(36(7)8)52(70)61-41(31-34(3)4)55(73)66(15)49(59(11,12)77)58(76)78-48(38(10)17-2)53(71)62-45(35(5)6)51(69)60-42(32-39-25-20-18-21-26-39)54(72)64(13)44(33-40-27-22-19-23-28-40)56(74)67-30-24-29-43(67)50(68)63-46/h18-23,25-28,34-38,41-49,77H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,70)(H,62,71)(H,63,68)/t37-,38-,41+,42+,43+,44+,45+,46+,47+,48-,49-/m1/s1 |
| SMILES |
CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O |
| 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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