input word = C00014501

Metabolite InformationStructural formula
Name 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-acetyl-6''-O-cinnamoyl)glucoside
Formula C32H30O12
Mw 606.17372642
CAS RN 213473-58-6
C_ID C00014501 ,
InChIKey SBEYXFRVWXXGPA-JMPQTSSPNA-N
InChICode InChI=1S/C32H30O12/c1-18(33)42-31-30(40)29(39)25(17-41-26(36)16-10-19-5-3-2-4-6-19)44-32(31)43-24-15-13-22(27(37)28(24)38)23(35)14-9-20-7-11-21(34)12-8-20/h2-16,25,29-32,34,37-40H,17H2,1H3/b14-9+,16-10+/t25-,29-,30+,31-,32-/m1/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccccc1)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens andicola Ref.
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OrganismBidens andicola
ReferenceDe Tommasi,J.Nat.Prod.,61,(1998),973