input word = C00028923

Metabolite InformationStructural formula
Name Ritterazine O
Formula C54H76N2O8
Mw 880.56016742
CAS RN 184971-68-4
C_ID C00028923 ,
InChIKey MIQUPVBPSWJECM-KVERLMDJNA-N
InChICode InChI=1S/C54H76N2O8/c1-27-43-39(61-53(27)17-15-45(3,4)63-53)25-51(49(43,9)59)31-13-11-29-19-35-37(23-47(29,7)33(31)21-41(51)57)55-36-20-30-12-14-32-34(48(30,8)24-38(36)56-35)22-42(58)52(32)26-40-44(50(52,10)60)28(2)54(62-40)18-16-46(5,6)64-54/h27-34,39-40,43-44,59-60H,11-26H2,1-10H3/t27-,28-,29-,30-,31+,32+,33-,34-,39-,40-,43-,44-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1
SMILES c12c(nc3c(n1)C[C@]1([C@H](C3)CC[C@@H]3[C@@H]1CC(=O)[C@@]13C[C@H]3[C@@H]([C@@]1(O)C)[C@@H]([C@]1(O3)OC(CC1)(C)C)C)C)C[C@]1([C@H](C2)CC[C@@H]2[C@@H]1CC(=O)[C@@]12C[C@H]2[C@@H]([C@]1(C)O)[C@@H]([C@@]1(O2)OC(CC1)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeRitterella tokioka Ref.
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