LMPK12070020
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.6261   12.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6484   11.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5421   10.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4131   11.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3905   12.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4971   12.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3068   10.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1777   11.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1552   12.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2616   12.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5404    9.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5559    9.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   10.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1731    8.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1839    9.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5777   10.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9606   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9521   11.6168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7305   10.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7792    8.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3963    7.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4072    7.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8010    8.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3469    6.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5359    6.3606    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>
(6bR,12bR)-6b,12b-Dihydro-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']bis[1]benzopyran-10-ol

> <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; 3885

> <CITATION>
-

$$$$