input word = C00017150

Metabolite InformationStructural formula
Name Aureobasidin Q
Antibiotic R 106XV
Formula C64H92N8O10
Mw 1132.69364122
CAS RN 127757-34-0
C_ID C00017150 ,
InChIKey SLCLWNQARUMWCS-UHFFFAOYNA-N
InChICode InChI=1S/C64H92N8O10/c1-15-42(9)52-62(79)70(13)53(40(5)6)57(74)65-47(35-39(3)4)59(76)69(12)51(38-46-31-24-19-25-32-46)64(81)82-55(43(10)16-2)63(80)71(14)54(41(7)8)58(75)66-48(36-44-27-20-17-21-28-44)60(77)68(11)50(37-45-29-22-18-23-30-45)61(78)72-34-26-33-49(72)56(73)67-52/h17-25,27-32,39-43,47-55H,15-16,26,33-38H2,1-14H3,(H,65,74)(H,66,75)(H,67,73)/t42-,43+,47-,48+,49-,50-,51-,52+,53-,54+,55+/m0/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)CC)OC(=O)C(Cc2ccccc2)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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