Analyte Name

(+)-cis,trans-Abscisic Acid-13C3

Molecular Formula

13C3 C12 H20 O4

Molecular Weight

267.29486

Accurate Mass

267.1462

SMILES

[13CH3]\[13C](=C\C(=O)O)\[13CH]=C\[C@]1(O)C(=CC(=O)CC1(C)C)C

InChI

InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1/i1+1,5+1,10+1

IUPAC

(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-(1^{13}C)methyl-(3,4-^{13}C_2)penta-2,4-dienoic acid

SIL Type

Carbon

Country of Origin

CANADA

Product Format

Neat