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 COc1cccc2c1C(=O)c1c(cc3c(c1O)C(O[C@H]1CC(N)C(O)C(C)O1)C[C@@](O)(C(=O)CO)C3)C2=O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. nov. Ref.
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