input word = C00017146

Metabolite InformationStructural formula
Name Aureobasidin M
Antibiotic R 106XI
Formula C59H90N8O10
Mw 1070.67799115
CAS RN 127785-71-1
C_ID C00017146 ,
InChIKey KFNVGPOWEXOFON-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O10/c1-16-38(11)46-57(74)64(13)47(35(5)6)54(71)62-43(31-34(3)4)55(72)66(15)49(37(9)10)59(76)77-50(39(12)17-2)58(75)65(14)48(36(7)8)53(70)60-42(32-40-25-20-18-21-26-40)51(68)61-44(33-41-27-22-19-23-28-41)56(73)67-30-24-29-45(67)52(69)63-46/h18-23,25-28,34-39,42-50H,16-17,24,29-33H2,1-15H3,(H,60,70)(H,61,68)(H,62,71)(H,63,69)/t38-,39-,42-,43-,44+,45-,46-,47-,48-,49-,50-/m1/s1
SMILES N1C(=O)[C@H](N(C(=O)[C@H](NC(=O)[C@@H]2N(C(=O)[C@@H](NC(=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)Cc1ccccc1)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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