input word = C00017258

Metabolite InformationStructural formula
Name Deoxymulundocandin
Formula C48H77N7O15
Mw 991.54776484
CAS RN 138626-63-8
C_ID C00017258 ,
InChIKey GWBOEEVOSDBARW-UHFFFAOYNA-N
InChICode InChI=1S/C48H77N7O15/c1-5-26(2)14-12-10-8-6-7-9-11-13-15-37(62)49-32-22-36(61)44(66)53-46(68)40-41(63)27(3)23-55(40)47(69)33(25-56)50-45(67)39(35(60)20-29-16-18-30(58)19-17-29)52-43(65)34-21-31(59)24-54(34)48(70)38(28(4)57)51-42(32)64/h16-19,26-28,31-36,38-41,44,56-61,63,66H,5-15,20-25H2,1-4H3,(H,49,62)(H,50,67)(H,51,64)(H,52,65)(H,53,68)/t26-,27-,28+,31-,32+,33-,34+,35+,36+,38+,39-,40+,41+,44+/m1/s1
SMILES C1(=O)N2[C@H](C(=O)N[C@H]([C@H](C[C@@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@@H](C(=O)N[C@@H]1CO)[C@H](Cc1ccc(cc1)O)O)C[C@H](C3)O)[C@@H](O)C)NC(=O)CCCCCCCCCC[C@@H](CC)C)O)O)[C@H]([C@@H](C2)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus sydowii Ref.
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OrganismAspergillus sydowii
ReferenceMukhopadhyay,J.Antibiotics 45,(1992),618