input word = C00016615

Metabolite InformationStructural formula
Name Aselacin C
Formula C46H66N8O11
Mw 906.48510501
CAS RN 156223-08-4
C_ID C00016615 ,
InChIKey ARKPSPWBJDFWAE-UHFFFAOYNA-N
InChICode InChI=1S/C46H66N8O11/c1-3-4-5-6-7-9-12-17-32(56)18-13-10-8-11-14-21-39(58)51-35(22-23-38(47)57)44(62)54-42-30(2)65-41(60)28-50-43(61)37(29-55)53-45(63)36(52-40(59)24-25-48-46(42)64)26-31-27-49-34-20-16-15-19-33(31)34/h7,9,12,15-17,19-20,27,30,35-37,42,49,55H,3-6,8,10-11,13-14,18,21-26,28-29H2,1-2H3,(H2,47,57)(H,48,64)(H,50,61)(H,51,58)(H,52,59)(H,53,63)(H,54,62)/b9-7+,17-12-/t30-,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\CCCCC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium sp. AB 2086L-51 Ref.
zoom in