LMPK12113152
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2501    7.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    6.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    6.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416    6.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416    7.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    8.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    6.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0331    6.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0331    7.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    8.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    5.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7289    8.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4380    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471    8.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1471    8.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4380    9.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7289    8.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    5.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    8.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8430    9.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7289    6.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7289    5.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 15 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113152

> <COMMON_NAME>
3-Methylherbacetin

> <SYSTEMATIC_NAME>
5,7,8,4'-Tetrahydroxy-3-methoxyflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GEZRDCGMQPFDMN-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319442

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$