input word = C00018001

Metabolite InformationStructural formula
Name 18-Dihydromaridomycin III
Formula C41H69NO16
Mw 831.46163517
CAS RN 53886-26-3
C_ID C00018001 ,
InChIKey ZIHANNYXUKNEAF-BUHFOSPRNA-N
InChICode InChI=1S/C41H69NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,21-29,33-40,43-44,48-49H,11-12,15-20H2,1-10H3/b14-13+/t21-,22+,23+,24+,25+,26+,27+,28+,29-,33-,34+,35-,36+,37-,38-,39-,40+,41-/m0/s1
SMILES CCC(=O)OC1CC(=O)OC(C)CC2OC2/C=C/C(O)C(C)CC(CCO)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia mexicana IFO 3927 Ref.
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