input word = C00028929

Metabolite InformationStructural formula
Name Ritterazine U
Formula C54H76N2O9
Mw 896.55508204
CAS RN 184769-28-6
C_ID C00028929 ,
InChIKey XCBOGMXPSZYSDQ-WZNKKAQENA-N
InChICode InChI=1S/C54H76N2O9/c1-27-43-40(63-53(27)17-15-46(5,59)26-62-53)25-52(61)32-13-11-30-19-36-38(23-48(30,7)34(32)20-41(57)49(43,52)8)56-35-18-29-10-12-31-33(47(29,6)22-37(35)55-36)21-42(58)51(31)24-39-44(50(51,9)60)28(2)54(64-39)16-14-45(3,4)65-54/h27-34,39-40,43-44,59-61H,10-26H2,1-9H3/t27-,28-,29-,30-,31+,32+,33-,34-,39-,40-,43-,44-,46-,47-,48-,49+,50-,51-,52+,53-,54+/m0/s1
SMILES C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](CC(=O)[C@]5(C)[C@@H]7[C@H](C[C@@]45O)O[C@@]4(CC[C@](C)(O)CO4)[C@H]7C)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeRitterella tokioka Ref.
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