input word = C00016613

Metabolite InformationStructural formula
Name Aselacin A
Formula C46H68N8O11
Mw 908.50075507
CAS RN 156223-06-2
C_ID C00016613 ,
InChIKey AYUIKFCHOSVYEV-UHFFFAOYNA-N
InChICode InChI=1S/C46H68N8O11/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/h7,9,12,15-17,19-20,27,30,32,35-37,42,49,55-56H,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-,32-,35+,36-,37+,42+/m1/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)CCCCCCC[C@@H](/C=C\C=C/CCCCC)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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