input word = C00028921

Metabolite InformationStructural formula
Name Ritterazine M
(+)-Ritterazine M
Formula C54H76N2O9
Mw 896.55508204
CAS RN 165172-46-3
C_ID C00028921 ,
InChIKey JEGZCUVXFJVBSJ-DVGWDAABNA-N
InChICode InChI=1S/C54H76N2O9/c1-27-45-41(64-52(27)15-13-46(3,59)25-62-52)19-35-31-11-9-29-17-37-39(23-48(29,5)33(31)20-42(57)50(35,45)7)55-38-18-30-10-12-32-34(49(30,6)24-40(38)56-37)21-43(58)51(8)36(32)22-44-54(51,61)28(2)53(65-44)16-14-47(4,60)26-63-53/h19,22,27-34,41-45,57-61H,9-18,20-21,23-26H2,1-8H3/t27-,28+,29-,30-,31+,32+,33-,34-,41+,42-,43+,44-,45-,46-,47-,48-,49-,50?,51?,52+,53+,54+/m0/s1
SMILES C[C@@H]1[C@@]2(CC[C@](C)(O)CO2)O[C@H]2C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@]21O)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@](C)(O)CO5)[C@@H](C)[C@@H]4[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]1(C)C7
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeRitterella tokioka Ref.
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