| Name |
Aureobasidin S2a |
| Formula |
C60H92N8O12 |
| Mw |
1116.68347046 |
| CAS RN |
153954-72-4 |
| C_ID |
C00016876
, 
|
| InChIKey |
AZWNOPVZWSHWAA-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C60H92N8O12/c1-17-37(9)46-57(76)65(14)47(35(5)6)52(71)61-42(31-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)66(15)48(36(7)8)53(72)62-43(32-39-23-20-19-21-24-39)54(73)64(13)45(33-40-26-28-41(69)29-27-40)56(75)68-30-22-25-44(68)51(70)63-46/h19-21,23-24,26-29,34-38,42-50,69,79H,17-18,22,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,42+,43+,44-,45-,46-,47+,48-,49-,50+/m0/s1 |
| SMILES |
CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)OC(=O)C(C(C)(C)O)N(C)C(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Dothioraceae | Aureobasidium pullulans R106 | Ref. |
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