LMPK12070013
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2587   10.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587    9.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9207    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5827    9.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5827   10.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9207   10.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447    8.9129    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9067    9.2951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9067   10.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447   10.4418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    8.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685    8.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2763    7.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9841    8.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9841    8.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2763    9.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2447    8.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2763    6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9805    6.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9805    5.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2763    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6848    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6884    7.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7189    8.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070013

> <COMMON_NAME>
Sandwicensin

> <SYSTEMATIC_NAME>
3-Hydroxy-9-methoxy-10-prenylpterocarpan

> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZFUZIYGRFSXEIQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,17,21-22H,6,11H2,1-3H3

> <SMILES>
C1(O)C=CC2C3OC4=C(C/C=C(/C)\C)C(OC)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
392464

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$