input word = C00028928

Metabolite InformationStructural formula
Name Ritterazine T
Formula C54H76N2O8
Mw 880.56016742
CAS RN 184768-89-6
C_ID C00028928 ,
InChIKey CIJOGBWCKPXFSS-FPTYFPFANA-N
InChICode InChI=1S/C54H76N2O8/c1-27-44-40(62-53(27)17-15-47(5,59)26-61-53)20-34-31-12-10-29-18-36-38(23-48(29,6)33(31)21-42(57)50(34,44)8)55-37-19-30-11-13-32-35(49(30,7)24-39(37)56-36)22-43(58)52(32)25-41-45(51(52,9)60)28(2)54(63-41)16-14-46(3,4)64-54/h20,27-33,35,40-42,44-45,57,59-60H,10-19,21-26H2,1-9H3/t27-,28-,29-,30-,31+,32+,33-,35-,40+,41-,42+,44-,45-,47-,48-,49-,50?,51-,52-,53-,54+/m0/s1
SMILES n1c2c(nc3c1C[C@]1([C@H](C3)CC[C@@H]3[C@@H]1CC(=O)[C@]13[C@@]([C@@H]3[C@H](C1)O[C@]1([C@H]3C)CCC(O1)(C)C)(C)O)C)C[C@]1([C@H](C2)CC[C@@H]2[C@@H]1C[C@H]([C@]1(C2=C[C@@H]2[C@@H]1[C@@H]([C@@]1(O2)CC[C@](CO1)(C)O)C)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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