LMPK12112760
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.9991    6.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0039    7.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6868    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4188    6.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4398    7.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7214    7.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8352    7.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375    7.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158    7.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5825    7.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5705    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2651    6.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5800    7.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5613    8.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8411    8.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1595    8.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2784    5.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7001    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1405    6.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    7.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2798    8.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2745    7.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8139    6.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9950    8.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1455    7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    7.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152    7.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152    6.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
 21 14  1  0  0  0  0
 13 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112760

> <COMMON_NAME>
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O7

> <MASS>
398.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GNVQLNWJZAHMQS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O7/c1-12(2)7-8-28-14-10-16(24)19-18(11-14)29-21(22(27-4)20(19)25)13-5-6-17(26-3)15(23)9-13/h5-7,9-11,23-24H,8H2,1-4H3

> <SMILES>
C12=C(O)C=C(OC/C=C(/C)\C)C=C1OC(C1=CC=C(OC)C(O)=C1)=C(OC)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178236

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259699

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$