input word = C00059621

Metabolite InformationStructural formula
Name (1alpha,3R,4alpha,5R)-1-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 1309665-48-2
C_ID C00059621
InChIKey YYQLHNZLMHCTAM-PSJOLONBSA-N
InChICode InChI=1S/C26H26O12/c1-36-21-11-15(3-7-17(21)28)4-8-22(32)37-24-19(30)12-26(25(34)35,13-20(24)31)38-23(33)9-5-14-2-6-16(27)18(29)10-14/h2-11,19-20,24,27-31H,12-13H2,1H3,(H,34,35)/b8-4+,9-5+/t19-,20-,24-,26+/m1/s1
SMILES COc1cc(C=CC(=O)OC2C(O)CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)CC2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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