LMPK12050084
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2478    8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2478    7.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9412    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6346    7.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6346    8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9412    9.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3279    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    7.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3279    9.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    7.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4561    6.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    7.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4561    7.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3279    6.7316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909    6.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    6.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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  2  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
  8 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  2  0  0  0  0
 15 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050084

> <COMMON_NAME>
Teralin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MXDNXMXAOOHCKT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-14-6-9(17)2-4-11(14)13-8-21-15-7-10(18)3-5-12(15)16(13)19/h2-8,17-18H,1H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=CC=3OC)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14077813

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$