input word = C00017144

Metabolite InformationStructural formula
Name Aureobasidin K
Antibiotic R 106Xa
Formula C59H90N8O10
Mw 1070.67799115
CAS RN 127757-32-8
C_ID C00017144 ,
InChIKey QXCOAWCHMCEXCZ-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O10/c1-17-39(12)46-57(74)64(14)47(35(4)5)52(69)60-42(31-34(2)3)55(72)66(16)49(37(8)9)59(76)77-50(38(10)11)58(75)65(15)48(36(6)7)53(70)61-43(32-40-25-20-18-21-26-40)54(71)63(13)45(33-41-27-22-19-23-28-41)56(73)67-30-24-29-44(67)51(68)62-46/h18-23,25-28,34-39,42-50H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t39-,42+,43+,44+,45-,46+,47+,48-,49+,50-/m1/s1
SMILES CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(C(C)C)N(C)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiDothioraceaeAureobasidium pullulans R106 Ref.
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