LMPK12113154
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.6013    8.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6013    7.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    7.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3395    7.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3395    8.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    9.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2086    7.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0777    7.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0777    8.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2086    9.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2086    6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9466    9.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324    8.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7180    9.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7180   10.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324   10.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9466   10.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9466    7.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704   10.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6034   10.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4725   10.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113154

> <COMMON_NAME>
Herbacetin 4'-methyl ether

> <SYSTEMATIC_NAME>
3,5,7,8-Tetrahydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JENUDBBUZMVAMW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-8-4-2-7(3-5-8)15-14(21)13(20)11-9(17)6-10(18)12(19)16(11)23-15/h2-6,17-19,21H,1H3

> <SMILES>
C1(O)=C(O)C2OC(C3C=CC(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0132127

> <CHEBI_ID>
190120

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259966

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13503

> <CITATION>
-

$$$$