input word = C00028931

Metabolite InformationStructural formula
Name Ritterazine W
Formula C54H76N2O8
Mw 880.56016742
CAS RN 184770-05-6
C_ID C00028931 ,
InChIKey ZFHSBZLNCXETTI-ISTXQHSLNA-N
InChICode InChI=1S/C54H76N2O8/c1-27-44-40(61-54(27)17-15-47(5,26-57)64-54)20-34-31-12-10-29-18-36-38(23-48(29,6)33(31)21-42(58)50(34,44)8)55-37-19-30-11-13-32-35(49(30,7)24-39(37)56-36)22-43(59)52(32)25-41-45(51(52,9)60)28(2)53(62-41)16-14-46(3,4)63-53/h20,27-33,35,40-42,44-45,57-58,60H,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 C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3[C@H](CC(=O)[C@]34C[C@@H]3O[C@@]5(CCC(C)(C)O5)[C@@H](C)[C@@H]3[C@]4(C)O)[C@@]2(C)C7)O[C@@]12CC[C@@](C)(CO)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeRitterella tokioka Ref.
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