LMPK12050418
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.8332   10.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290   10.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418    9.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4590    9.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4633   10.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6504   11.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2739    9.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0890    9.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0932   10.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2802   11.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    9.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6421    8.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6465    9.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7777   10.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2739    8.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418    8.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0183   11.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6752    7.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6567    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595   10.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    7.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5775    7.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4616    9.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5084    9.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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  5  1  0  0  0  0
  8 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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
  2 22  1  0  0  0  0
 14 24  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050418

> <COMMON_NAME>
Junipegenin C

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6,3',4',5'-tetramethoxyisoflavone

> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GNGPPTXVHWEWBQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)19(13)26-4)10-8-27-12-7-11(20)18(25-3)17(22)15(12)16(10)21/h5-8,20,22H,1-4H3

> <SMILES>
C1(O)=CC2OC=C(C3C=C(OC)C(OC)=C(OC)C=3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44133604

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13100

> <CITATION>
-

$$$$