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 COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(CC7OC(O)(C(O)C(=O)O)C(C)C(OC)C7(C)OC)CC(OC)C6C)C(C)C5OC5CCC(OC)C(C)O5)O4)O3)OC(C)(O)C2C)OC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus K-41 (FERM-P 1342) Ref.
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