input word = C00018136

Metabolite InformationStructural formula
Name Antibiotic MA 144S2
MA 144S2
Musettamycin
NSC 219941
Formula C36H45NO14
Mw 715.28400516
CAS RN 63710-09-8
C_ID C00018136 ,
InChIKey PXKJRTZJMGPOGS-IHPOBKONNA-N
InChICode InChI=1S/C36H45NO14/c1-7-36(46)13-22(50-23-11-18(37(4)5)34(15(3)49-23)51-24-12-21(40)30(41)14(2)48-24)25-16(29(36)35(45)47-6)10-17-26(32(25)43)33(44)28-20(39)9-8-19(38)27(28)31(17)42/h8-10,14-15,18,21-24,29-30,34,38-41,43,46H,7,11-13H2,1-6H3/t14-,15+,18-,21-,22-,23-,24+,29-,30+,34+,36+/m0/s1
SMILES C1[C@]([C@@H](c2c([C@H]1O[C@@H]1O[C@@H]([C@H]([C@H](C1)N(C)C)O[C@H]1O[C@H]([C@H]([C@H](C1)O)O)C)C)c(c1c(c2)C(=O)c2c(C1=O)c(ccc2O)O)O)C(=O)OC)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaActinomycetesActinosporangium sp. C-36145 (ATCC 31127) Ref.
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