input word = C00017135

Metabolite InformationStructural formula
Name Aureobasidin B
Antibiotic R 106IIa
Formula C59H90N8O11
Mw 1086.67290578
CAS RN 127939-17-7
C_ID C00017135 ,
InChIKey SCMFDLJANPJUPW-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O11/c1-17-38(10)45-56(74)64(14)46(35(4)5)51(69)60-41(31-34(2)3)54(72)66(16)49(59(11,12)77)58(76)78-48(37(8)9)57(75)65(15)47(36(6)7)52(70)61-42(32-39-25-20-18-21-26-39)53(71)63(13)44(33-40-27-22-19-23-28-40)55(73)67-30-24-29-43(67)50(68)62-45/h18-23,25-28,34-38,41-49,77H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t38-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m0/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(O)(C)C)C(C)C)C)C(C)C)Cc1ccccc1)C)Cc1ccccc1)CCC2)[C@H](CC)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Asp IPP
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
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