LMPK12140629
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.9054    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9054    8.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7499    7.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5947    8.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5947    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7499    9.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4392    7.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2838    8.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2838    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4393    9.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284    9.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9892    9.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500    9.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   10.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9892   11.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284   10.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4392    6.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    7.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5090   11.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0858   12.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1653   11.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7499    6.6869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8347    6.0606    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  3 24  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140629

> <COMMON_NAME>
Agestricin B

> <SYSTEMATIC_NAME>
6-Hydroxy-5,7-dimethoxy-3',4'-methylenedioxyflavanone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BGVWSIXPZPCSLV-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=C4OCOC4=CC=3)CC(=O)C=2C(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21721835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$