input word = C00018215

Metabolite InformationStructural formula
Name Antibiotic K 41B
Formula C54H92O20
Mw 1060.61819538
CAS RN 72017-85-7
C_ID C00018215 ,
InChIKey XVIRILZYCSHFKJ-UHFFFAOYNA-N
InChICode InChI=1S/C54H92O20/c1-26-44(69-42-22-19-34(60-11)31(6)65-42)28(3)52(10,58)73-45(26)38-17-16-36(67-38)37-18-21-40(68-37)51(9)48(70-43-23-20-35(61-12)32(7)66-43)30(5)54(74-51)27(2)39(62-13)24-33(71-54)25-41-50(8,64-15)47(63-14)29(4)53(59,72-41)46(55)49(56)57/h26-48,55,58-59H,16-25H2,1-15H3,(H,56,57)/t26-,27+,28+,29-,30+,31+,32-,33-,34-,35+,36+,37-,38+,39-,40-,41-,42-,43-,44-,45+,46-,47+,48+,50-,51-,52-,53+,54-/m1/s1
SMILES [C@H]1(O[C@@H](CC[C@H]1OC)O[C@@H]1[C@H]([C@H](O[C@@]([C@H]1C)(C)O)[C@@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@]1(O[C@]2([C@H]([C@@H]1O[C@H]1O[C@@H]([C@H](CC1)OC)C)C)O[C@H](C[C@H]([C@@H]2C)OC)C[C@@H]1[C@]([C@H]([C@H]([C@@](O1)(O)[C@@H](C(=O)O)O)C)OC)(OC)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus K-41 (FERM-P 1342) Ref.
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OrganismStreptomyces hygroscopicus K-41 (FERM-P 1342)
ReferenceTsuji,J. Antibiotics,32,(1979),169