input word = C00032027

Metabolite InformationStructural formula
Name Mixirin B
Formula C45H68N12O14
Mw 1000.49779497
CAS RN 786653-42-7
C_ID C00032027 ,
InChIKey KPNOFTRLFQRDDJ-YZWQMBKDNA-N
InChICode InChI=1S/C45H68N12O14/c1-2-3-4-5-6-7-9-25-19-38(64)51-29(20-35(47)61)41(67)53-28(18-24-11-13-26(59)14-12-24)40(66)54-30(21-36(48)62)42(68)52-27(15-16-34(46)60)39(65)56-32(23-58)43(69)55-31(22-37(49)63)45(71)57-17-8-10-33(57)44(70)50-25/h11-14,25,27-33,58-59H,2-10,15-23H2,1H3,(H2,46,60)(H2,47,61)(H2,48,62)(H2,49,63)(H,50,70)(H,51,64)(H,52,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)/t25-,27+,28-,29+,30+,31+,32+,33-/m1/s1
SMILES N1C(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H]1CCCCCCCC)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CCC(=O)N)CO)CC(=O)N)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. Ref.
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