input word = C00018317

Metabolite InformationStructural formula
Name 11-Deoxydoxorubicin
Formula C27H29NO10
Mw 527.17914616
CAS RN 71800-89-0
C_ID C00018317 ,
InChIKey JBVCUZWDGRKRKU-MZICSFCTNA-N
InChICode InChI=1S/C27H29NO10/c1-11-23(31)15(28)7-19(37-11)38-17-9-27(35,18(30)10-29)8-12-6-14-22(25(33)20(12)17)26(34)21-13(24(14)32)4-3-5-16(21)36-2/h3-6,11,15,17,19,23,29,31,33,35H,7-10,28H2,1-2H3/t11-,15-,17-,19-,23+,27+/m1/s1
SMILES c12c(c(ccc1)OC)C(=O)c1c(C2=O)cc2c(c1O)[C@@H](C[C@](C2)(O)C(=O)CO)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)N)O)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. nov. Ref.
zoom in