input word = C00017141

Metabolite InformationStructural formula
Name Aureobasidin H
Antibiotic R 106VII
Formula C59H90N8O10
Mw 1070.67799115
CAS RN 127785-68-6
C_ID C00017141 ,
InChIKey BWSBDCRLGLCQDD-UHFFFAOYNA-N
InChICode InChI=1S/C59H90N8O10/c1-16-38(11)47-57(74)65(14)48(36(7)8)53(70)60-42(31-34(3)4)51(68)62-46(35(5)6)59(76)77-50(39(12)17-2)58(75)66(15)49(37(9)10)54(71)61-43(32-40-25-20-18-21-26-40)55(72)64(13)45(33-41-27-22-19-23-28-41)56(73)67-30-24-29-44(67)52(69)63-47/h18-23,25-28,34-39,42-50H,16-17,24,29-33H2,1-15H3,(H,60,70)(H,61,71)(H,62,68)(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](N(C(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@H](NC(=O)[C@@H]1CC(C)C)C(C)C)[C@H](C)CC)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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