input word = C00016536

Metabolite InformationStructural formula
Name Aureobasidin T3
Formula C59H90N8O11
Mw 1086.67290578
CAS RN 165561-04-6
C_ID C00016536 ,
InChIKey WARJEOXPESUMDZ-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O11/c1-17-38(12)44-56(74)63(13)45(34(4)5)52(70)60-41(31-33(2)3)54(72)65(15)47(36(8)9)59(77)78-50(37(10)11)58(76)64(14)46(35(6)7)53(71)61-42(32-39-25-20-18-21-26-39)55(73)66(16)48(49(68)40-27-22-19-23-28-40)57(75)67-30-24-29-43(67)51(69)62-44/h18-23,25-28,33-38,41-50,68H,17,24,29-32H2,1-16H3,(H,60,70)(H,61,71)(H,62,69)/t38-,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+/m1/s1
SMILES CCC(C)C1NC(=O)C2CCCN2C(=O)C(C(O)c2ccccc2)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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