Mrv0541 12041311572D          

 14 14  0  0  0  0            999 V2000
   13.4776  -12.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625  -12.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0474  -12.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595  -11.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321  -12.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321  -11.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6169  -10.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0443  -10.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157  -10.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0444  -10.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3291   -9.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9006   -9.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3279   -8.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1883  -10.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <ID>
CHEBI:76117

> <NAME>
cis-ferulic acid

> <DEFINITION>
A ferulic acid consisting of cis-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring.

> <STAR>
3

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

> <FORMULA>
C10H10O4

> <MASS>
194.18400

> <MONOISOTOPIC_MASS>
194.05791

> <CHARGE>
0

> <SMILES>
COc1cc(\C=C/C(O)=O)ccc1O

> <INCHI>
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3-

> <INCHIKEY>
KSEBMYQBYZTDHS-HYXAFXHYSA-N

> <CAS_REGISTRY_NUMBER>
1014-83-1

> <REAXYS_REGISTRY_NUMBER>
2212757

> <CHEMIDPLUS>
1014-83-1

> <AGRICOLA_CITATION>
IND93026950

> <CHINESE_ABSTRACTS_CITATION>
464322

> <PUBMED_CITATION>
12631416; 15864784

$$$$