Ketcher 06251510442D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
    7.3968   -7.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2613   -8.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1309   -7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372   -8.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019   -6.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727   -7.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1309   -6.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2664   -6.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372   -6.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727   -6.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9905   -8.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2512   -9.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423   -9.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8550   -7.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9804   -9.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081   -8.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081   -6.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7094   -9.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8398   -9.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7195   -8.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5741   -9.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436   -7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030   -5.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  2  0     0  0
  5  1  1  0     0  0
  6  4  1  0     0  0
  7  8  1  0     0  0
  8  5  1  0     0  0
  9  5  2  0     0  0
 10  9  1  0     0  0
 11  3  1  0     0  0
 12  2  2  0     0  0
 13  4  1  0     0  0
 14 11  1  0     0  0
 15 11  2  0     0  0
 16  6  1  0     0  0
 17 10  1  0     0  0
 18 20  1  0     0  0
 19 15  1  0     0  0
 20 14  2  0     0  0
 21 18  1  0     0  0
 22 16  1  0     0  0
 23 17  1  0     0  0
  7  3  2  0     0  0
  6 10  2  0     0  0
 18 19  2  0     0  0
M  END
> <ID>
CHEBI:70033

> <NAME>
7-O-methyltectorigenin

> <DEFINITION>
A  methoxyisoflavone that is tectorigenin in which the hydroxy group at position 7 has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora.

> <STAR>
3

> <SYNONYM>
5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one; 4',5-dihydroxy-6,7-dimethoxyisoflavone

> <IUPAC_NAME>
5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one

> <FORMULA>
C17H14O6

> <MASS>
314.28950

> <MONOISOTOPIC_MASS>
314.07904

> <CHARGE>
0

> <SMILES>
COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OC

> <INCHI>
InChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

> <INCHIKEY>
JDKYUORVNMYEIK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1096-58-8

> <REAXYS_REGISTRY_NUMBER>
1296649

> <CHEMIDPLUS>
1096-58-8

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050388

> <PUBMED_CITATION>
21265557

$$$$