LMPK12120348
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7695    8.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7695    7.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4781    7.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4781    8.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    9.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3324    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1867    7.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0412    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8955    7.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7570    7.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6186    7.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6186    8.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7570    9.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8955    8.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3324    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5647    7.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1496    8.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5647    9.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238   10.3068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149    9.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3324    9.3202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4297    8.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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  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 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 13  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
  5 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120348

> <COMMON_NAME>
Agestricin A

> <SYSTEMATIC_NAME>
3',6'-Dihydroxy-2',4'-dimethoxy-3,4-methylenedioxychalcone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RAPHKYZKLYRNAR-HWKANZROSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-15-8-12(20)16(18(23-2)17(15)21)11(19)5-3-10-4-6-13-14(7-10)25-9-24-13/h3-8,20-21H,9H2,1-2H3/b5-3+

> <SMILES>
C1(OC)=C(O)C(OC)=C(C(=O)/C=C/C2C=CC3OCOC=3C=2)C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607631

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$