| Name |
Aureobasidin S2b |
| Formula |
C60H92N8O12 |
| Mw |
1116.68347046 |
| CAS RN |
153954-73-5 |
| C_ID |
C00016877
, 
|
| InChIKey |
SJMVYAHBOJDUII-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C60H92N8O12/c1-16-38(8)46-57(76)65(13)47(36(4)5)52(71)61-42(32-35(2)3)55(74)67(15)50(60(10,11)79)59(78)80-49(39(9)29-31-69)58(77)66(14)48(37(6)7)53(72)62-43(33-40-24-19-17-20-25-40)54(73)64(12)45(34-41-26-21-18-22-27-41)56(75)68-30-23-28-44(68)51(70)63-46/h17-22,24-27,35-39,42-50,69,79H,16,23,28-34H2,1-15H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39-,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](CCO)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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