LMPK12070092
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.4494    7.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4494    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1339    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8185    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8185    7.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1339    7.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030    6.2674    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1875    6.6627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1875    7.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030    7.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8718    6.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8718    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6037    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3356    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3356    6.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6037    6.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5103    5.4228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668    5.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9697    8.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1835    8.7041    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8620    7.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7885    9.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1826   10.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1339    5.4773    0.0000 O   0  0  0  0  0  0  0  0  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
 14 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070092

> <COMMON_NAME>
Apiocarpin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CCQYTBSOADZYAG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-9(2)15-6-12-17(24-15)7-14(22)18-19(12)23-8-13-11-4-3-10(21)5-16(11)25-20(13)18/h3-5,7,13,15,20-22H,1,6,8H2,2H3

> <SMILES>
C12OC(C(C)=C)CC=1C1OCC3C4=CC=C(O)C=C4OC3C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257466

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$