LMPK12070020
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    6.2916   10.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    9.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    8.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7659    9.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472   10.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0102   10.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5032    8.9763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2217    9.4126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2031   10.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4659   10.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6959    8.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5337    8.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8588    8.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    7.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8768    7.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2017    8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6926    8.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    9.5839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0277    8.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7179    6.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2270    5.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0610    6.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3859    6.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    5.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1672    5.2475    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
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
  8 19  1  6  0  0  0
  7 20  1  6  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 16  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070020

> <COMMON_NAME>
(-)-Phaseollin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Phaseolin 

> <INCHI_KEY>
LWTDZKXXJRRKDG-KXBFYZLASA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]3([H])C4C=CC5OC(C)(C)C=CC=5C=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
C10514

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
91572

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$