input word = C00048618

Metabolite InformationStructural formula
Name Asperiamide B
(-)-Asperiamide B
Formula C42H75NO9
Mw 737.544183
CAS RN 1096014-35-5
C_ID C00048618 ,
InChIKey XYVQIIFHEOOJMH-TYDJVVMUNA-N
InChICode InChI=1S/C42H75NO9/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-12-10-8-6-4-2/h8,10,12,22,25,27,29,31,34-40,42,44-49H,3-7,9,11,13-21,23-24,26,28,30,32-33H2,1-2H3,(H,43,50)/b10-8+,22-12+,27-25+,31-29+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]([C@@H](CCCCCCCCCCCCCCCCCCCC)O)NC(=O)[C@@H](/C=C/C=C/C=C/C=C/CCC)O)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
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