input word = C00017148

Metabolite InformationStructural formula
Name Aureobasidin O
Antibiotic R 106XIII
Formula C64H92N8O11
Mw 1148.68855584
CAS RN 127785-72-2
C_ID C00017148 ,
InChIKey UQZXPAUXAAJBEV-UHFFFAOYNA-N
InChICode InChI=1S/C64H92N8O11/c1-15-41(9)50-62(80)69(12)51(39(5)6)57(75)65-46(35-38(3)4)60(78)71(14)53(54(73)45-31-24-19-25-32-45)64(82)83-55(42(10)16-2)63(81)70(13)52(40(7)8)58(76)66-47(36-43-27-20-17-21-28-43)59(77)68(11)49(37-44-29-22-18-23-30-44)61(79)72-34-26-33-48(72)56(74)67-50/h17-25,27-32,38-42,46-55,73H,15-16,26,33-37H2,1-14H3,(H,65,75)(H,66,76)(H,67,74)/t41-,42-,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+/m1/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@H](O)c1ccccc1)[C@@H](CC)C)C)C(C)C)Cc1ccccc1)C)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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