LMPK12112515
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4152    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1308    5.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8463    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8463    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1308    7.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2773    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2773    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    7.4783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9926    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7218    7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4511    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4511    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7218    8.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9926    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0231    5.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1308    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1801    8.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1308    8.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155    8.7172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4155    9.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    8.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9849    8.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    8.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    7.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    9.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1308    9.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2635    8.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8913    0.0000 O   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
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 17 32  1  0  0  0  0
 27 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112515

> <COMMON_NAME>
Kushenol G

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O8

> <MASS>
456.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XEDWPQREESERDN-CYBMUJFWSA-N

> <INCHI>
InChI=1S/C25H28O8/c1-12(2)13(7-8-25(3,4)32)9-16-18(28)11-19(29)20-21(30)22(31)24(33-23(16)20)15-6-5-14(26)10-17(15)27/h5-6,10-11,13,26-29,31-32H,1,7-9H2,2-4H3/t13-/m1/s1

> <SMILES>
C1(O)=C(C[C@@H](CCC(O)(C)C)C(=C)C)C2OC(C3C(O)=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185962

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259516

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$