input word = C00054952

Metabolite InformationStructural formula
Name 4-Dehydrochebulic acid triethyl ester
Formula C20H22O11
Mw 438.11621155
CAS RN 947695-62-7
C_ID C00054952
InChIKey UMVQVZGYTVRNFA-PMGRVEHTSA-N
InChICode InChI=1S/C20H22O11/c1-4-28-12(22)8-10(18(25)29-5-2)14-13-9(7-11(21)15(23)16(13)24)19(26)31-17(14)20(27)30-6-3/h7-8,14,17,21,23-24H,4-6H2,1-3H3/b10-8+/t14-,17-/m0/s1
SMILES CCOC(=O)/C=C(/C(=O)OCC)[C@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@@H]1C(=O)OCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeCanarium album Ref.
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