LMPK12050507
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    7.6056   10.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6056    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4229    8.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   10.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4229   10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0575    8.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747   10.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0575   10.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7477    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7477    7.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6216    7.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4955    7.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4955    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6216    9.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0575    7.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747    7.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747    8.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3683    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8723    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3683   10.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3762    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2412   10.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6216    6.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3683    7.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6407    8.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 12 18  1  0  0  0  0
  8 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050507

> <COMMON_NAME>
Secundifloran

> <SYSTEMATIC_NAME>
3-[5-(1,1-Dimethyl-2-propen-1-yl)-2,3-dihydroxy-4-methoxyphenyl]-2,3-dihydro-3,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C21H22O7

> <MASS>
386.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AMFGHCXXVTVGNQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O7/c1-5-20(2,3)14-9-13(16(23)17(24)18(14)27-4)21(26)10-28-15-8-11(22)6-7-12(15)19(21)25/h5-9,22-24,26H,1,10H2,2-4H3

> <SMILES>
C1(O)=CC2OCC(O)(C3=CC(C(C)(C=C)C)=C(OC)C(O)=C3O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10091530

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3896

> <CITATION>
-

$$$$