input word = C00017139

Metabolite InformationStructural formula
Name Aureobasidin F
Antibiotic R 106V
Formula C59H90N8O11
Mw 1086.67290578
CAS RN 127785-67-5
C_ID C00017139 ,
InChIKey NYMXEEYDKNDFED-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O11/c1-16-37(9)46-52(70)62-45(35(5)6)51(69)60-41(31-34(3)4)55(73)66(15)49(59(11,12)77)58(76)78-48(38(10)17-2)57(75)65(14)47(36(7)8)53(71)61-42(32-39-25-20-18-21-26-39)54(72)64(13)44(33-40-27-22-19-23-28-40)56(74)67-30-24-29-43(67)50(68)63-46/h18-23,25-28,34-38,41-49,77H,16-17,24,29-33H2,1-15H3,(H,60,69)(H,61,71)(H,62,70)(H,63,68)/t37-,38-,41+,42+,43+,44-,45-,46-,47-,48-,49-/m1/s1
SMILES N1C(=O)[C@H](NC(=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)(O)C)[C@H](C)CC)C)C(C)C)Cc1ccccc1)C)Cc1ccccc1)CCC2)[C@@H](CC)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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