ChEBI


 22 24  0  0  0  0  0  0  0  0  1 V2000
    8.3077   -7.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3112   -7.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5939   -8.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0319   -6.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5939   -6.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387   -7.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0215   -9.2350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8732   -7.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5974   -9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422   -7.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8732   -7.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4525   -8.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4629   -6.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1560   -6.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1801   -7.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -5.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9008   -6.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1870   -5.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9043   -5.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6215   -5.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3760   -5.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <ID>
CHEBI:6099

> <NAME>
kaempferide

> <DEFINITION>
A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol.

> <STAR>
3

> <SYNONYM>
Kaempferol 4'-methyl ether; Kaempferide; Campheride; 4'-O-Methylkaempferol; 1.3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone

> <IUPAC_NAME>
3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

> <FORMULA>
C16H12O6

> <MASS>
300.26288

> <MONOISOTOPIC_MASS>
300.06339

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O

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

> <INCHIKEY>
SQFSKOYWJBQGKQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
491-54-3

> <REAXYS_REGISTRY_NUMBER>
305378

> <CHEMIDPLUS>
491-54-3

> <KEGG_COMPOUND_ACCESSION>
C10098

> <KNAPSACK_ACCESSION>
C00001060

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110563

> <METACYC_ACCESSION>
CPD-7252

> <WIKIPEDIA_ACCESSION>
Kaempferide

> <PUBMED_CITATION>
19571393; 22993853; 23123452; 23208771; 23311465

$$$$