LMPK12112284
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.8467    7.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8347    8.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7109    7.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6202    7.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6317    8.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7234    9.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266    9.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694    9.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0574    8.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0603    7.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388    7.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7109    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5151    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4212    8.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162    9.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162   10.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4212   10.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266   10.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1316   10.6635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1482    8.6791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4212   11.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266   12.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266   13.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6317   13.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4212   13.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388    6.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7703   10.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7354   10.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3134   11.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718   10.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5843    9.9467    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
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 11 26  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  9  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112284

> <COMMON_NAME>
Broussonol C

> <SYSTEMATIC_NAME>
2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one

> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SOQFBCLXNNQJDD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-11(2)6-7-13-8-14(9-16(27)20(13)28)23-22(30)21(29)18-15(26)10-17-19(24(18)32-23)25(4,5)12(3)31-17/h6,8-10,12,26-28,30H,7H2,1-5H3

> <SMILES>
C12=C(O)C=C3OC(C)C(C)(C)C3=C1OC(C1C=C(C/C=C(\C)/C)C(O)=C(O)C=1)=C(O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11743840

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 66380

> <CITATION>
11575957

$$$$