input word = C00059761

Metabolite InformationStructural formula
Name 1,1'-[(1R,2alpha,3R,5alpha)-5-Carboxy-2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-5-hydroxy-1,3-cyclohexanediyl] bis(hydrogen butanedioate)
Formula C24H26O15
Mw 554.12717016
CAS RN 1369774-22-0
C_ID C00059761
InChIKey WAIAHJZXGBENMH-UKSOIDQMSA-N
InChICode InChI=1S/C24H26O15/c25-13-3-1-12(9-14(13)26)2-6-21(33)39-22-15(37-19(31)7-4-17(27)28)10-24(36,23(34)35)11-16(22)38-20(32)8-5-18(29)30/h1-3,6,9,15-16,22,25-26,36H,4-5,7-8,10-11H2,(H,27,28)(H,29,30)(H,34,35)/b6-2+/t15-,16-,22-,24+/m1/s1
SMILES O=C(O)CCC(=O)OC1CC(O)(C(=O)O)CC(OC(=O)CCC(=O)O)C1OC(=O)C=Cc1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
zoom in