input word = C00032028

Metabolite InformationStructural formula
Name Mixirin C
Formula C47H72N12O14
Mw 1028.5290951
CAS RN 786653-43-8
C_ID C00032028 ,
InChIKey CIJXGEKDXKOIJC-DAJNFHGZNA-N
InChICode InChI=1S/C47H72N12O14/c1-3-25(2)9-6-4-5-7-10-27-20-40(66)53-31(21-37(49)63)43(69)55-30(19-26-12-14-28(61)15-13-26)42(68)56-32(22-38(50)64)44(70)54-29(16-17-36(48)62)41(67)58-34(24-60)45(71)57-33(23-39(51)65)47(73)59-18-8-11-35(59)46(72)52-27/h12-15,25,27,29-35,60-61H,3-11,16-24H2,1-2H3,(H2,48,62)(H2,49,63)(H2,50,64)(H2,51,65)(H,52,72)(H,53,66)(H,54,70)(H,55,69)(H,56,68)(H,57,71)(H,58,67)/t25-,27-,29-,30+,31-,32-,33-,34-,35+/m0/s1
SMILES CCC(C)CCCCCCC1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. Ref.
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