input word = C00061512

Metabolite InformationStructural formula
Name (1R,3R,4S,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
Formula C16H18O9
Mw 354.09508217
CAS RN 342811-68-1
C_ID C00061512
InChIKey CWVRJTMFETXNAD-UNIGVISCSA-N
InChICode InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
SMILES O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeMoraceaeMorus alba Ref.
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