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Caffeic acid-[13C9]

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General Information
Catalog: BLP-000126
CAS: 1173097-51-2
Molecular Formula: C3[13C]6H8O4
Molecular Weight: 189.09

Chemical Structure

Description	Caffeic acid-[13C9] is the carbon-13 labelled edition of Caffeic acid. Caffeic Acid is an orally bioavailable, hydroxycinnamic acid derivative and polyphenol, with potential anti-oxidant, anti-inflammatory, and antineoplastic activities. Upon administration, caffeic acid acts as an antioxidant and prevents oxidative stress, thereby preventing DNA damage induced by free radicals.
Synonyms	3,4-Dihydroxycinnamic acid-13C9
IUPAC Name	(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
Related CAS	331-39-5 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1/[13CH]=[13CH]/[13C](=O)O)O)O
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)O)O
InChI	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
InChI Key	QAIPRVGONGVQAS-RJKLISAOSA-N
Melting Point	211-213 °C (dec.)
Purity	97% (CP); 99% atom 13C
Appearance	Light Yellow Powder