input word = C00017151

Metabolite InformationStructural formula
Name Aureobasidin R
Formula C60H92N8O11
Mw 1100.68855584
CAS RN 134450-20-7
C_ID C00017151 ,
InChIKey FREXYXXOYJEUAY-UHFFFAOYNA-N
InChICode InChI=1S/C60H92N8O11/c1-17-38(11)45-57(75)64(13)46(35(5)6)53(71)61-42(32-34(3)4)55(73)66(15)48(37(9)10)60(78)79-51(39(12)18-2)59(77)65(14)47(36(7)8)54(72)62-43(33-40-26-21-19-22-27-40)56(74)67(16)49(50(69)41-28-23-20-24-29-41)58(76)68-31-25-30-44(68)52(70)63-45/h19-24,26-29,34-39,42-51,69H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t38-,39+,42+,43-,44-,45+,46+,47-,48+,49+,50-,51+/m1/s1
SMILES N1C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)[C@@H](OC(=O)[C@@H](N(C(=O)[C@@H]1CC(C)C)C)C(C)C)[C@H](CC)C)C)C(C)C)Cc1ccccc1)C)[C@@H](c1ccccc1)O)CCC2)[C@@H](CC)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
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