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 O1[C@@H]2C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]([C@@H](C[C@@H]([C@@H](/C=C/[C@@H]12)O)C)CCO)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@]([C@H]([C@H](O1)C)OC(=O)CC)(C)O)N(C)C)O)OC)OC(=O)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia mexicana IFO 3927 Ref.
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OrganismNocardia mexicana IFO 3927
ReferenceNakahama,J. Antibiotics,27,(1974),605