input word = C00028910

Metabolite InformationStructural formula
Name Ritterazine B
Formula C54H78N2O9
Mw 898.5707321
CAS RN 160568-10-5
C_ID C00028910 ,
InChIKey ORQGJGXNWBQQPK-ZJIUORISNA-N
InChICode InChI=1S/C54H78N2O9/c1-26-45-40(63-52(26)14-12-46(3,4)65-52)19-32-30-11-10-28-16-35-37(23-48(28,6)31(30)20-41(58)50(32,45)8)56-36-17-29-18-39(57)44-33(49(29,7)24-38(36)55-35)21-42(59)51(9)34(44)22-43-54(51,61)27(2)53(64-43)15-13-47(5,60)25-62-53/h22,26-33,39-45,57-61H,10-21,23-25H2,1-9H3/t26-,27+,28-,29+,30+,31-,32+,33-,39-,40-,41+,42+,43-,44+,45-,47-,48-,49-,50+,51+,52-,53+,54+/m0/s1
SMILES n1c2c(nc3c1C[C@H]1[C@](C3)([C@@H]3[C@@H](CC1)[C@@H]1[C@]([C@@H](C3)O)([C@@H]3[C@H](C1)O[C@]1([C@H]3C)OC(CC1)(C)C)C)C)C[C@H]1[C@](C2)([C@@H]2[C@@H]([C@H](C1)O)C1=C[C@H]3[C@@]([C@]1([C@@H](C2)O)C)([C@@H]([C@@]1(O3)OC[C@](CC1)(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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