input word = C00018316

Metabolite InformationStructural formula
Name Iremycin
Formula C28H33NO9
Mw 527.21553166
CAS RN 75634-51-4
C_ID C00018316 ,
InChIKey HECQIFUUJRYFRO-OQQJYHRZNA-N
InChICode InChI=1S/C28H33NO9/c1-5-28(36)10-9-14-19(27(28)38-17-11-15(29(3)4)22(31)12(2)37-17)26(35)21-20(24(14)33)25(34)18-13(23(21)32)7-6-8-16(18)30/h6-8,12,15,17,22,27,30-31,33,35-36H,5,9-11H2,1-4H3/t12-,15-,17-,22+,27+,28-/m1/s1
SMILES c12c(cccc1O)C(=O)c1c(C2=O)c(c2c(c1O)[C@@H]([C@](CC2)(CC)O)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)N(C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus subsp. iremyceticus Ref.
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