input word = C00028917

Metabolite InformationStructural formula
Name Ritterazine I
Formula C54H76N2O10
Mw 912.54999666
CAS RN 164991-71-3
C_ID C00028917 ,
InChIKey VXYJPRLVLXYUAE-UHFFFAOYNA-N
InChICode InChI=1S/C54H76N2O10/c1-26-44-39(64-52(26)14-12-45(3,4)66-52)24-51(61)30-11-10-28-16-34-36(22-47(28,6)31(30)19-41(59)50(44,51)9)56-35-17-29-18-38(57)43-32(48(29,7)23-37(35)55-34)20-40(58)49(8)33(43)21-42-54(49,62)27(2)53(65-42)15-13-46(5,60)25-63-53/h21,26-32,38-40,42-44,57-58,60-62H,10-20,22-25H2,1-9H3/t26-,27+,28+,29-,30+,31+,32+,38+,39+,40-,42-,43-,44+,46-,47-,48-,49+,50-,51+,52-,53+,54-/m0/s1
SMILES n1c2c(nc3c1C[C@@H]1[C@](C3)([C@H]3[C@@H](CC1)[C@]1([C@@](C(=O)C3)([C@H]3[C@@H](C1)O[C@]1([C@H]3C)OC(CC1)(C)C)C)O)C)C[C@@H]1[C@](C2)([C@H]2[C@H]([C@@H](C1)O)C1=C[C@H]3[C@]([C@]1([C@H](C2)O)C)([C@@H]([C@@]1(O3)OC[C@@](CC1)(C)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeRitterella tokioka Ref.
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