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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18O3
Molecular Weight 210.2695
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of JASMONIC ACID

SMILES

CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O

InChI

InChIKey=ZNJFBWYDHIGLCU-HWKXXFMVSA-N
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H18O3
Molecular Weight 210.2695
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
6RI5N05OWW
Record Status Validated (UNII)
Record Version