LMPK12140687
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.3916   -6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3916   -7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366   -7.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0817   -7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0817   -6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366   -5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267   -7.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7718   -7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7718   -6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267   -5.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6164   -5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4777   -6.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3388   -5.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3388   -4.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4777   -4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6164   -4.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267   -8.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2848   -5.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8693   -5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2848   -4.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366   -4.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5256   -5.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5256   -7.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366   -8.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3705   -9.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6596   -7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5256   -4.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026   -4.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4778   -3.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3438   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  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
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  6 21  1  0     0  0
  1 22  1  0     0  0
  2 23  1  0     0  0
  3 24  1  0     0  0
 24 25  1  0     0  0
 23 26  1  0     0  0
 22 27  1  0     0  0
 21 28  1  0     0  0
 15 29  1  0     0  0
 29 30  1  0     0  0
M  END
> <LM_ID>
LMPK12140687

> <COMMON_NAME>
Agecorynin B

> <SYSTEMATIC_NAME>
5,6,7,8,3'-Pentamethoxy-4',5'-methylenedioxyflavanone

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PKKWZACWYPOGSA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O9/c1-23-13-6-10(7-14-16(13)29-9-28-14)12-8-11(22)15-17(24-2)19(25-3)21(27-5)20(26-4)18(15)30-12/h6-7,12H,8-9H2,1-5H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(OC)C4OCOC=4C=3)CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608126

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$