input word = C00063224

Metabolite InformationStructural formula
Name (1R,3R,4S,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-1-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 865095-58-5
C_ID C00063224
InChIKey WBACKTNTXNGGBO-GLKWXDDPSA-N
InChICode InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-26(25(34)35)12-19(30)24(33)21(13-26)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/t19-,21-,24+,26-/m1/s1
SMILES COc1cc(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
zoom in