input word = C00018329

Metabolite InformationStructural formula
Name Glysperin A
Formula C44H75N7O18
Mw 989.51685865
CAS RN 78213-56-6
C_ID C00018329 ,
InChIKey POXHWKVMCKMHBX-GWTCAJHONA-N
InChICode InChI=1S/C44H75N7O18/c1-21(46)39(60)51-29-31(55)28(47)22(2)62-41(29)67-36-26(19-52)65-42(33(57)32(36)56)69-38-30(54)23(3)63-43(35(38)59)68-37-27(20-53)66-44(34(37)58)64-25-11-9-24(10-12-25)40(61)50-18-8-17-49-16-7-6-15-48-14-5-4-13-45/h9-12,21-22,26-38,41-44,48-49,52-59H,3-8,13-20,45-47H2,1-2H3,(H,50,61)(H,51,60)/t21-,22-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37-,38+,41-,42+,43+,44-/m1/s1
SMILES c1(ccc(cc1)C(=O)NCCCNCCCCNCCCCN)O[C@H]1[C@H]([C@H](O[C@H]2[C@H]([C@H]([C@H](C(=C)O2)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O[C@@H]2[C@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)[C@H](N)C)O)O)O)[C@@H](CO)O1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus cereus No. F173-B61 Ref.
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OrganismBacillus cereus No. F173-B61
ReferenceKawaguchi,J. Antibiotics,34,(1981),381