LMPK12112857
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.8583    6.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8630    7.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5609    6.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2833    6.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2923    7.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5794    7.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7145    7.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0064    7.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375    7.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4301    6.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1348    6.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4280    7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4185    8.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6995    9.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0044    8.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1348    5.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5609    5.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973    6.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7234    7.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1326    9.1382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161    6.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6995    9.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9817   10.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2764    9.9628    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2764    9.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5469   10.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513    9.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4184    5.0000    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
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112857

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one

> <FORMULA>
C22H24O8

> <MASS>
416.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QKQBCMSTNUQLPW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O8/c1-11(10-23)4-5-12-8-13(6-7-14(12)24)20-19(27)18(26)17-16(30-20)9-15(25)21(28-2)22(17)29-3/h6-9,11,23-25,27H,4-5,10H2,1-3H3

> <SMILES>
C12=C(OC)C(OC)=C(O)C=C1OC(C1=CC(CCC(CO)C)=C(O)C=C1)=C(O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10573935

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$