input word = C00018343

Metabolite InformationStructural formula
Name 13-Deoxydaunomycin
13-Deoxydaunorubicin
Feudomycin A
Formula C27H31NO9
Mw 513.1998816
CAS RN 79466-09-4
C_ID C00018343 ,
InChIKey XAMIMZAWZUSOPA-LSUNTRIFNA-N
InChICode InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16+,17-,22+,27+/m0/s1
SMILES c1ccc2c(c1OC)C(=O)c1c(C2=O)c(c2c(c1O)[C@@H](C[C@@](C2)(O)CC)O[C@@H]1O[C@H]([C@H]([C@H](C1)N)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus 4N-140 Ref.
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