input word = C00037355

Metabolite InformationStructural formula
Name Iturin A-7
Formula C50H78N12O14
Mw 1070.57604529
CAS RN 83777-03-1
C_ID C00037355 ,
InChIKey NZQWPBDCMOEBJS-AIWDKSFGNA-N
InChICode InChI=1S/C50H78N12O14/c1-2-3-4-5-6-7-8-9-10-11-12-14-30-24-43(69)56-34(25-40(52)66)45(71)58-33(23-29-16-18-31(64)19-17-29)44(70)59-35(26-41(53)67)46(72)57-32(20-21-39(51)65)50(76)62-22-13-15-38(62)49(75)60-36(27-42(54)68)47(73)61-37(28-63)48(74)55-30/h16-19,30,32-38,63-64H,2-15,20-28H2,1H3,(H2,51,65)(H2,52,66)(H2,53,67)(H2,54,68)(H,55,74)(H,56,69)(H,57,72)(H,58,71)(H,59,70)(H,60,75)(H,61,73)/t30-,32+,33-,34+,35-,36-,37+,38+/m1/s1
SMILES C1(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@H]1CC(=O)N)CCCCCCCCCCCCC)CO)CC(=O)N)CCC2)CCC(=O)N)CC(=O)N)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus amyloliquefaciens strain RC-2 Ref.
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