input word = C00018330

Metabolite InformationStructural formula
Name Glysperin B
Formula C40H66N6O18
Mw 918.44335935
CAS RN 78213-55-5
C_ID C00018330 ,
InChIKey PGEKDAOSVRPCSY-MYVAPIDRNA-N
InChICode InChI=1S/C40H66N6O18/c1-17(42)35(55)46-25-27(50)24(43)18(2)57-37(25)62-32-22(15-47)60-38(29(52)28(32)51)64-34-26(49)19(3)58-39(31(34)54)63-33-23(16-48)61-40(30(33)53)59-21-9-7-20(8-10-21)36(56)45-14-6-13-44-12-5-4-11-41/h7-10,17-18,22-34,37-40,44,47-54H,3-6,11-16,41-43H2,1-2H3,(H,45,56)(H,46,55)/t17-,18-,22+,23+,24+,25-,26+,27+,28-,29-,30+,31-,32+,33+,34-,37-,38+,39+,40-/m1/s1
SMILES c1(ccc(cc1)C(=O)NCCCNCCCCN)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