input word = C00017183

Metabolite InformationStructural formula
Name Alldimycin B
Alpharubicin II
Formula C36H48N2O12
Mw 700.32072501
CAS RN 97605-82-8
C_ID C00017183 ,
InChIKey JBKZSVYMGSDYJL-ZCLQNXNVNA-N
InChICode InChI=1S/C36H48N2O12/c1-8-36(46)14-23(49-24-12-19(37(4)5)30(41)15(2)47-24)17-11-18-26(34(45)29-22(40)10-9-21(39)28(29)32(18)43)33(44)27(17)35(36)50-25-13-20(38(6)7)31(42)16(3)48-25/h9-11,15-16,19-20,23-25,30-31,35,39-42,44,46H,8,12-14H2,1-7H3/t15-,16-,19-,20-,23-,24+,25+,30+,31+,35-,36+/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)cc1c(c2O)C(=O)c2c(C1=O)c(ccc2O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)N(C)C)O)C)(CC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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OrganismStreptomyces violaceus
ReferenceJohdo,J.Antibiotics 44,(1991),1110