LMPK12112760
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.1201    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1259    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9537    7.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8409    7.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8664    8.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9956    9.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5578    8.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7121    9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2918    9.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4030    8.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3884    7.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2304    7.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4605    9.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4379   10.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5649   10.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7387   10.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2465    6.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9698    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    7.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5282    9.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3088   10.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3024    8.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5319    7.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1757   10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6612    8.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944    9.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9275    8.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9275    7.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.3834    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>


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

> <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; 354500

> <CITATION>
-

$$$$