input word = C00018226

Metabolite InformationStructural formula
Name Aclacinomycin Y
Antibiotic 77-3082Y
Antibiotic MA 144Y
Formula C42H51NO15
Mw 809.32586997
CAS RN 66789-14-8
C_ID C00018226 ,
InChIKey ADCDIHNCUQOKFP-OTFBOOBMNA-N
InChICode InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19+,20-,24+,27+,28+,29+,30-,31-,35+,39+,40+,42+/m1/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@@H]1O[C@@H](C(=O)C=C1)C)C)C)c(c1c(c2)C(=O)c2c(C1=O)c(ccc2)O)O)C(=O)OC)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus No. MA144-M1 (ATCC 31133) Ref.
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