LMPK12050273
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5663   10.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5663    9.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    9.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334   10.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998   10.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0671    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    9.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007   10.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0671   10.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7344    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7344    7.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6257    7.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5170    7.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5170    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6257    9.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0671    7.9044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    7.9044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   10.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6257    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3506    9.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3506    7.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6484    8.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050273

> <COMMON_NAME>
Junipegenin A

> <SYSTEMATIC_NAME>
5,7,3',5'-Tetrahydroxy-4'-methoxyisoflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NZVLHOXXOSELRF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-16-11(19)2-7(3-12(16)20)9-6-23-13-5-8(17)4-10(18)14(13)15(9)21/h2-6,17-20H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5488618

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13100

> <CITATION>
-

$$$$