input word = C00018066

Metabolite InformationStructural formula
Name Aclacinomycin B
Aclarubicin B
Antibiotic 77-3082B
Antibiotic MA 144B1
NSC 208735
Formula C42H51NO15
Mw 809.32586997
CAS RN 57596-79-9
C_ID C00018066 ,
InChIKey RQHZAASWYUEYCJ-UQDGSYBHNA-N
InChICode InChI=1S/C42H51NO15/c1-8-42(50)16-28(32-21(34(42)40(49)51-7)12-22-33(37(32)48)36(47)31-20(35(22)46)10-9-11-24(31)44)56-29-13-23(43(5)6)38(18(3)52-29)57-30-15-26-39(19(4)53-30)58-41-27(55-26)14-25(45)17(2)54-41/h9-12,17-19,23,26-30,34,38-39,41,44,48,50H,8,13-16H2,1-7H3/t17-,18-,19-,23-,26-,27-,28-,29-,30-,34-,38+,39+,41-,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]2[C@H](C1)O[C@@H]1[C@H](O2)O[C@H](C(=O)C1)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.
zoom in