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 CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus No. MA144-M1 (ATCC 31133) Ref.
zoom in