LMPK12140015
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.4604    6.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4604    6.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1766    5.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8928    6.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8928    6.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1766    7.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    5.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252    6.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3252    6.9406    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6090    7.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0411    7.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7709    6.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5009    7.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5009    8.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7709    8.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0411    8.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7445    7.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1766    8.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4754    8.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742    8.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7170    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1637    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
  9 11  1  0  0  0  0
 11 12  2  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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140015

> <COMMON_NAME>
(-)-Isolonchocarpin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O3

> <MASS>
306.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GJRSGESHUAFWMY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)CC(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12311091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$