input word = C00018065

Metabolite InformationStructural formula
Name Aclacinomycin A
Aclacur
Aclarubicin
Antibiotic 3082A
Antibiotic 77-3082A
Antibiotic MA 144A1
Jaclacin
NSC 208734
Formula C42H53NO15
Mw 811.34152003
CAS RN 57576-44-0
C_ID C00018065 ,
InChIKey USZYSDMBJDPRIF-JUOZZTFANA-N
InChICode InChI=1S/C42H53NO15/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/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
SMILES c1ccc2c(c1O)C(=O)c1c(C2=O)cc2c(c1O)[C@H](C[C@]([C@@H]2C(=O)OC)(O)CC)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@H]([C@H](C1)O)O[C@H]1CCC(=O)[C@@H](O1)C)C)N(C)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus No. MA144-M1 (ATCC 31133) Ref.
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