LMPK12112297
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.3244    7.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3129    8.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    7.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0303    7.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0533    8.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1726    9.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9189    9.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5963    7.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    7.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1432    6.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8958    7.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7833    8.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6506    9.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6523   10.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7866   10.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9210   10.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898   10.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5178   10.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5178   11.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6523   12.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7866   11.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5162    8.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8630   12.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5015   11.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    9.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8543   10.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6300   10.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6300   11.5592    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  5  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  1  2  0  0  0  0
  3 12  2  0  0  0  0
  4 13  1  0  0  0  0
  7 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  7  1  0  0  0  0
 11 19  1  0  0  0  0
  9 20  1  0  0  0  0
  8 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 17  1  0  0  0  0
 15 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
> <LM_ID>
LMPK12112297

> <COMMON_NAME>
Broussonol A

> <SYSTEMATIC_NAME>
8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one

> <FORMULA>
C25H24O7

> <MASS>
436.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PSJXCDCTKCAYCB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O7/c1-6-24(2,3)18-15(27)11-14(26)17-19(29)20(30)22(31-23(17)18)13-9-12-7-8-25(4,5)32-21(12)16(28)10-13/h6-11,26-28,30H,1H2,2-5H3

> <SMILES>
C12=C(O)C=C(O)C(C(C=C)(C)C)=C1OC(C1C=C3C=CC(C)(C)OC3=C(O)C=1)=C(O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186846

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10342975

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 66380

> <CITATION>
11575957

$$$$