Ketcher 06041515032D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
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   14.5772  -12.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  1  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  2 10  1  0     0  0
  5 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
  9 19  1  0     0  0
 10 20  1  0     0  0
  3 21  2  0     0  0
 18 22  1  0     0  0
  7 23  1  0     0  0
 23 24  1  0     0  0
 19 25  1  0     0  0
 17 26  1  0     0  0
M  END
> <ID>
CHEBI:79628

> <NAME>
gardenin B

> <DEFINITION>
A tetramethoxyflavone that is  tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
gardenin B; Demethyltangeretin; 5-Hydroxy-4',6,7,8-tetramethoxyflavone; 5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one

> <IUPAC_NAME>
5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C19H18O7

> <MASS>
358.34200

> <MONOISOTOPIC_MASS>
358.10525

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1

> <INCHI>
InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3

> <INCHIKEY>
LXEVSYZNYDZSOB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2798-20-1

> <KEGG_COMPOUND_ACCESSION>
C15109

> <KNAPSACK_ACCESSION>
C00003883

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111451

> <PUBMED_CITATION>
11198823; 19296377; 23747095; 25378691

$$$$