input word = C00017852

Metabolite InformationStructural formula
Name Mulundocandin
Formula C48H77N7O16
Mw 1007.54267946
CAS RN
C_ID C00017852 ,
InChIKey WUPSJTQKGFMDON-UHFFFAOYNA-N
InChICode InChI=1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69)/t25-,26+,27-,30-,31-,32+,33-,34-,36+,37-,38+,39+,40-,41+,44-/m0/s1
SMILES CCC(C)CCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(CO)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus sydowi Y-30462 Ref.
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