input word = C00043440

Metabolite InformationStructural formula
Name Daunomycin
Rubomycin C
Formula C27H29NO10
Mw 527.17914616
CAS RN 20830-81-3
C_ID C00043440 ,
InChIKey STQGQHZAVUOBTE-FNTTYOTLNA-N
InChICode InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
SMILES c1ccc2c(c1OC)C(=O)c1c(C2=O)c(c2c(c1O)[C@H](C[C@@](C2)(C(=O)C)O)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)N)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MST77755 Ref.
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