| Name |
Aureobasidin S3 |
| Formula |
C60H92N8O12 |
| Mw |
1116.68347046 |
| CAS RN |
153954-74-6 |
| C_ID |
C00016878
, 
|
| InChIKey |
CSEWOAIMQFNFGS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C60H92N8O12/c1-16-38(9)46-57(76)65(13)47(36(5)6)52(71)61-42(31-35(3)4)55(74)67(15)50(60(10,11)79)59(78)80-49(41(17-2)34-69)58(77)66(14)48(37(7)8)53(72)62-43(32-39-25-20-18-21-26-39)54(73)64(12)45(33-40-27-22-19-23-28-40)56(75)68-30-24-29-44(68)51(70)63-46/h18-23,25-28,35-38,41-50,69,79H,16-17,24,29-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,41-,42-,43+,44-,45-,46+,47-,48+,49-,50-/m0/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](CC)CO)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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