input word = C00017192

Metabolite InformationStructural formula
Name CP 91244
Formula C51H86O18
Mw 986.58141594
CAS RN 135215-73-5
C_ID C00017192 ,
InChIKey NLGXJISKNBGDRK-OIPFILDNNA-N
InChICode InChI=1S/C51H86O18/c1-25-21-26(2)49(10,56)66-41(25)35-22-36(62-39-16-14-34(58-11)31(7)61-39)46(63-35)48(9)18-17-37(65-48)47(8)19-20-50(69-47)23-33(53)27(3)42(67-50)28(4)43-45(59-12)44(29(5)51(57,68-43)24-38(54)55)64-40-15-13-32(52)30(6)60-40/h25-37,39-46,52-53,56-57H,13-24H2,1-12H3,(H,54,55)/t25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48+,49-,50+,51-/m0/s1
SMILES COC1CCC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2[C@@]2(C)CC[C@@H](C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC6CCC(O)C(C)O6)C5OC)O4)O3)O2)OC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura roseorufa ATCC 53869 Ref.
zoom in