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Substrate Report for: BECBA

BECBA	Type	Terephthalate
		Phthalate
	Other_Name	DTXSID501017835
	Chemical_Nomenclature	4-(2-benzoyloxyethoxycarbonyl)benzoic acid
	Formula	C17H14O6
	MW	314.29
	Paper	von Haugwitz_2022_ACS.Catal_12_15259
	Comment	Product of hydrolysis of 3PET. Hydrolyzed in MHET and BA
	Gene_locus	thefu-1831
		bacsu-pnbae
	CID	145865721
	Family	Carb_B_Bacteria
	InChIKey	GELYKMNJWXZNIX-UHFFFAOYSA-N
	CanonicalSMILES	C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)O
	InChI	InChI=1S/C17H14O6/c18-15(19)12-6-8-14(9-7-12)17(21)23-11-10-22-16(20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)