Ketcher 06051511302D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
   10.2285  -11.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2285  -12.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0969  -13.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654  -12.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654  -11.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0969  -11.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8338  -13.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7022  -12.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7022  -11.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8338  -11.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5601  -11.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4111  -11.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2796  -11.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2797  -10.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4285   -9.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5601  -10.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1581   -9.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5601  -13.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8338  -14.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0969  -14.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3601  -11.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5038  -11.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
  9 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 11 16  1  0     0  0
 14 17  1  0     0  0
  8 18  1  0     0  0
  7 19  2  0     0  0
  3 20  1  0     0  0
  1 21  1  0     0  0
 21 22  1  0     0  0
M  END
> <ID>
CHEBI:80897

> <NAME>
rhamnocitrin

> <DEFINITION>
A monomethoxyflavone that is the 7-methyl ether derivative of  kaempferol.

> <STAR>
3

> <SYNONYM>
7-Methylkaempferol; 3,4',5-Trihydroxy-7-methoxyflavone

> <IUPAC_NAME>
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O6

> <MASS>
300.26290

> <MONOISOTOPIC_MASS>
300.06339

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(O)c2=O

> <INCHI>
InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

> <INCHIKEY>
MQSZRBPYXNEFHF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
569-92-6

> <REAXYS_REGISTRY_NUMBER>
41959

> <CHEMIDPLUS>
569-92-6

> <KEGG_COMPOUND_ACCESSION>
C17059

> <KNAPSACK_ACCESSION>
C00004567

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112589

> <PUBMED_CITATION>
22494026; 25298664; 25757283

$$$$