input word = C00016614

Metabolite InformationStructural formula
Name Aselacin B
Formula C46H66N8O12
Mw 922.48001963
CAS RN 156223-07-3
C_ID C00016614 ,
InChIKey YUBIUAUSTIXPQN-UHFFFAOYNA-N
InChICode InChI=1S/C46H66N8O12/c1-29(56)15-9-5-3-6-10-16-32(57)17-11-7-4-8-12-20-39(59)51-35(21-22-38(47)58)44(63)54-42-30(2)66-41(61)27-50-43(62)37(28-55)53-45(64)36(52-40(60)23-24-48-46(42)65)25-31-26-49-34-19-14-13-18-33(31)34/h3,6,10,13-14,16,18-19,26,29-30,35-37,42,49,55-56H,4-5,7-9,11-12,15,17,20-25,27-28H2,1-2H3,(H2,47,58)(H,48,65)(H,50,62)(H,51,59)(H,52,60)(H,53,64)(H,54,63)/b6-3-,16-10-/t29-,30+,35-,36+,37-,42-/m0/s1
SMILES c12c(cccc1)[nH]cc2C[C@H]1NC(=O)CCNC(=O)[C@H]([C@H](OC(=O)CNC(=O)[C@@H](NC1=O)CO)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CCCCCCCC(=O)/C=C\C=C/CCC[C@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium sp. AB 2093T-194 Ref.
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