input word = C00049920

Metabolite InformationStructural formula
Name 11-O-Monomethylelaiophylin
Formula C55H90O18
Mw 1038.61271607
CAS RN 197729-30-9
C_ID C00049920 ,
InChIKey IQUQYYTZXBLSTO-QIHJZXNONA-N
InChICode InChI=1S/C55H90O18/c1-14-38-34(9)72-54(64,26-42(38)68-46-24-40(56)50(62)36(11)66-46)32(7)48(60)30(5)52-28(3)20-16-18-23-45(59)71-53(29(4)21-17-19-22-44(58)70-52)31(6)49(61)33(8)55(65-13)27-43(39(15-2)35(10)73-55)69-47-25-41(57)51(63)37(12)67-47/h16-23,28-43,46-53,56-57,60-64H,14-15,24-27H2,1-13H3/b20-16+,21-17+,22-19+,23-18+/t28-,29-,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-,42+,43+,46-,47-,48+,49+,50+,51+,52-,53-,54+,55+/m0/s1
SMILES [C@@H]1(OC(=O)/C=C/C=C/[C@@H]([C@H](OC(=O)/C=C/C=C/[C@@H]1C)[C@H]([C@H]([C@@H]([C@]1(C[C@H]([C@@H]([C@H](O1)C)CC)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)O)C)O)C)C)[C@H]([C@H]([C@@H]([C@]1(C[C@H]([C@@H]([C@H](O1)C)CC)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)OC)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HKI0113 Ref.
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