input word = C00059451

Metabolite InformationStructural formula
Name (1R,3R,4S,5R)-1-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-5-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 1226867-26-0
C_ID C00059451
InChIKey DJXURFUTIYZESV-BQYLRUKMSA-N
InChICode InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,21-,24+,26-/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)CC(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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