LMPK12050353
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.1497    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    7.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050    7.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8597    7.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8597    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050    9.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7149    7.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5699    7.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5699    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7149    9.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7149    6.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250    7.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4250    6.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2179    6.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0109    6.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0109    7.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2179    7.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050    6.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8659    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2947    9.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4287    8.9447    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  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 17  1  0  0  0  0
 17 12  2  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMPK12050353

> <COMMON_NAME>
Prunetin

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-7-methoxyisoflavone

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prunusetin

> <INCHI_KEY>
KQMVAGISDHMXJJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

> <SMILES>
C1(OC)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1

> <KEGG_ID>
C10521

> <HMDB_ID>
HMDB0034127

> <CHEBI_ID>
8600

> <ABBREVIATION>
-

> <CAYMAN_ID>
29432

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281804

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2854737

> <CITATION>
-

$$$$