input word = C00048526

Metabolite InformationStructural formula
Name Remurin B
Formula C41H30O27
Mw 954.09744576
CAS RN 140187-45-7
C_ID C00048526 ,
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+/m0/s1
SMILES [C@@H](C=O)([C@H]([C@H]1[C@@H](O)COC(=O)c2c(c3c(C(=O)O1)cc(c(c3O)O)O)c(c(c(c2)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1Oc1c(c(cc(c1)C(=O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTamaricaceaeTamarix nilotica Ref.
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