input word = C00048495

Metabolite InformationStructural formula
Name Nilotinin M1
Formula C41H30O27
Mw 954.09744576
CAS RN 1194824-94-6
C_ID C00048495 ,
InChIKey MRVGGLFDCQXIGK-UHFFFAOYNA-N
InChICode InChI=1S/C41H30O27/c42-8-23(66-41(63)14-7-20(48)30(54)33(57)34(14)65-22-4-10(37(58)59)1-17(45)27(22)51)36(68-38(60)11-2-15(43)26(50)16(44)3-11)35-21(49)9-64-39(61)12-5-18(46)28(52)31(55)24(12)25-13(40(62)67-35)6-19(47)29(53)32(25)56/h1-8,21,23,35-36,43-57H,9H2,(H,58,59)/t21-,23+,35-,36-/m1/s1
SMILES O=CC(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc(C(=O)O)cc(O)c1O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix nilotica Ref.
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