input word = C00018172

Metabolite InformationStructural formula
Name 3',4'-Dideoxy-6'-N-methylbutirosin B
Formula C22H43N5O10
Mw 537.30099263
CAS RN 65025-70-9
C_ID C00018172 ,
InChIKey XZHKQIFWQSETLE-UHFFFAOYNA-N
InChICode InChI=1S/C22H43N5O10/c1-26-7-9-2-3-10(24)21(34-9)36-18-11(25)6-12(27-20(33)13(29)4-5-23)15(30)19(18)37-22-17(32)16(31)14(8-28)35-22/h9-19,21-22,26,28-32H,2-8,23-25H2,1H3,(H,27,33)/t9-,10-,11-,12+,13-,14-,15+,16-,17-,18+,19+,21-,22-/m0/s1
SMILES [C@H]1(C[C@@H]([C@H]([C@@H]([C@@H]1O)O[C@H]1[C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H](CC[C@H](O1)CNC)N)N)NC(=O)[C@H](CCN)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala Secologanin
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus circulans MCRL 5003 Ref.
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OrganismBacillus circulans MCRL 5003
ReferenceTakeda,J. Antibiotics,31,(1978),247