input word = C00040418

Metabolite InformationStructural formula
Name Swinhoeiamide A
Formula C40H65N2O12P
Mw 796.42751205
CAS RN 209408-31-1
C_ID C00040418 ,
InChIKey NWFMVMFBNZSIHF-LILXIGEENA-N
InChICode InChI=1S/C40H65N2O12P/c1-23(18-35(41)44)14-12-15-24(2)25(3)19-26(4)36(45)27(5)31(43)20-33(49-10)37-38(54-55(46,47)48)39(8,9)40(53-37)21-34(50-11)28(6)32(52-40)17-13-16-30-22-51-29(7)42-30/h13,15-16,18-19,22,26-28,31-34,36-38,43,45H,12,14,17,20-21H2,1-11H3,(H2,41,44)(H2,46,47,48)/b16-13+,23-18-,24-15+,25-19+/t26-,27+,28+,31-,32-,33-,34+,36+,37+,38-,40-/m0/s1
SMILES [C@@H]1([C@@H](C[C@@]2(O[C@H]1C/C=C/c1nc(oc1)C)C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H]([C@@H]([C@H](/C=C(/C(=C/CC/C(=C\C(=O)N)/C)/C)\C)C)O)C)O)OC)OP(=O)(O)O)(C)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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