Marvin  12030713432D          

 12 12  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
 12  2  1  0  0  0  0
  3  9  1  0  0  0  0
  1  4  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  2  6  1  0  0  0  0
  8  7  1  0  0  0  0
 11  7  2  0  0  0  0
 10  7  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
> <ID>
CHEBI:17450

> <NAME>
cis-4-coumaric acid

> <DEFINITION>
The cis-form of 4-coumaric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10488; CHEBI:12807

> <SYNONYM>
cis-p-hydroxycinnamic acid; cis-p-coumarinic acid; cis-p-coumaric acid; cis-p-Coumarate; cis-4-hydroxycinnamic acid; (Z)-p-hydroxycinnamic acid; (Z)-p-coumaric acid; (Z)-3-(4-hydroxyphenyl)-2-propenoic acid; (2Z)-3-(4-hydroxyphenyl)acrylic acid

> <IUPAC_NAME>
(2Z)-3-(4-hydroxyphenyl)prop-2-enoic acid

> <FORMULA>
C9H8O3

> <MASS>
164.15802

> <MONOISOTOPIC_MASS>
164.04734

> <CHARGE>
0

> <SMILES>
OC(=O)\C=C/c1ccc(O)cc1

> <INCHI>
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3-

> <INCHIKEY>
NGSWKAQJJWESNS-UTCJRWHESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2207382

> <CAS_REGISTRY_NUMBER>
4501-31-9

> <REAXYS_REGISTRY_NUMBER>
2207382

> <CHEMIDPLUS>
4501-31-9

> <KEGG_COMPOUND_ACCESSION>
C06738

> <KNAPSACK_ACCESSION>
C00038791

$$$$