input word = C00040861

Metabolite InformationStructural formula
Name Acalyphidin M2
Formula C41H28O27
Mw 952.0817957
CAS RN 222975-01-1
C_ID C00040861 ,
InChIKey KWJWDQVAMYZQHO-UHFFFAOYNA-N
InChICode InChI=1S/C41H28O27/c42-12-1-8(2-13(43)23(12)48)34(54)68-39-33-32-29(67-40(59)41(60)6-18(47)63-31-22(41)21-11(37(57)66-33)5-16(46)26(51)30(21)64-38(31)58)17(62-39)7-61-35(55)9-3-14(44)24(49)27(52)19(9)20-10(36(56)65-32)4-15(45)25(50)28(20)53/h1-5,17,22,29,31-33,39,42-46,48-53,60H,6-7H2/t17-,22+,29-,31-,32+,33+,39+,41?/m0/s1
SMILES C1(=O)c2c(c3c(C(=O)OC[C@H]4[C@H]5[C@H]([C@H]([C@H](O4)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c4c6c(c(c(c4)O)O)OC(=O)[C@@H]4[C@@H]6[C@](C(=O)O5)(CC(=O)O4)O)O1)cc(c(c3O)O)O)c(c(c(c2)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
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