ChEBI
  Marvin  09120513442D          

 26 28  0  0  0  0            999 V2000
    4.6837   -3.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4196   -2.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6718   -3.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3639   -4.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1170   -3.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117   -3.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579   -2.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9741   -4.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544   -3.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3582   -5.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8371   -2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5291   -3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8428   -1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2545   -2.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682   -1.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2769   -1.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742   -3.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0023   -1.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -5.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090   -4.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344   -3.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567   -4.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509   -5.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -2.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8261   -3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  7  1  1  0  0  0  0
  6  2  1  0  0  0  0
  4  3  1  0  0  0  0
  8  3  1  0  0  0  0
  5  4  1  0  0  0  0
 11  4  2  0  0  0  0
  6  5  2  0  0  0  0
 21  5  1  0  0  0  0
 12  6  1  0  0  0  0
 10  7  2  0  0  0  0
  9  8  2  0  0  0  0
 20  8  1  0  0  0  0
 10  9  1  0  0  0  0
 23  9  1  0  0  0  0
 25 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 17  1  0  0  0  0
 22 21  1  0  0  0  0
 24 23  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
> <ID>
CHEBI:18016

> <NAME>
3',4',5-trihydroxy-3,6,7-trimethoxyflavone

> <DEFINITION>
A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11670; CHEBI:19823; CHEBI:1320

> <SYNONYM>
quercetagetin 3,6,7-trimethyl ether; Chrysosplenol D; 3',4',5-trihydroxy-3,6,7-trimethoxyflavone; 3',4',5-Trihydroxy-3,6,7-trimethoxyflavone

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one

> <FORMULA>
C18H16O8

> <MASS>
360.31484

> <MONOISOTOPIC_MASS>
360.08452

> <CHARGE>
0

> <SMILES>
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC

> <INCHI>
InChI=1S/C18H16O8/c1-23-12-7-11-13(14(21)17(12)24-2)15(22)18(25-3)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3

> <INCHIKEY>
BYWLLSQTJBXAPV-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
350587

> <KEGG_COMPOUND_ACCESSION>
C04552

> <KNAPSACK_ACCESSION>
C00004692

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12112998

> <PUBMED_CITATION>
11141110; 18855445; 21469236

$$$$