Code/trivial namea	IUPAC name/SMILES notation/InChiKeyb	Structural formulac
Spirodiclofen	3‐(2,4‐dichlorophenyl)‐2‐oxo‐1‐oxaspiro[4.5]dec‐3‐en‐4‐yl 2,2‐dimethylbutyrate CC(C)(CC)C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(Cl)cc1Cl DTDSAWVUFPGDMX‐UHFFFAOYSA‐N
Spirodiclofen‐enol (M01)	3‐(2,4‐dichlorophenyl)‐4‐hydroxy‐1‐oxaspiro[4.5]dec‐3‐en‐2‐one Clc1ccc(C=2C(=O)OC3(CCCCC3)C=2O)c(Cl)c1 KIKARNYYJSEROI‐UHFFFAOYSA‐N
M04	Glucosyl pentoside derivative of 1‐{[(2,4‐dichlorophenyl)(hydroxy)acetyl]oxy}cyclohexane‐1‐carboxylic acid Note: it was not determined if the conjugate corresponds to a dimer or glucose and a pentoside moiety are attached in two different positions of the molecule.
M05	1‐{[(2,4‐dichlorophenyl)(hydroxy)acetyl]oxy}‐4‐hydroxycyclohexane‐1‐carboxylic acid (one of the possible isomers, position of the hydroxyl moiety in the cyclohexane has not been definitively determined)
M08	(2,4‐dichlorophenyl)(β‐D‐glucopyranosyloxy)acetic acid Clc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(Cl)c1 GCSIFAGRQUUVJD‐HWHXPSIMSA‐N

IUPAC: International Union of Pure and Applied Chemistry; SMILES: simplified molecular‐input line‐entry system; InChiKey: International Chemical Identifier Key.

^aThe metabolite name in bold is the name used in the conclusion.

^bACD/Name 2020.2.1 ACD/Labs 2020 Release (File version N15E41, Build 116563, 15 June 2020).

^cACD/ChemSketch 2020.2.1 ACD/Labs 2020 Release (File version C25H41, Build 121153, 22 March 2021).