LMPK12100052
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.3578   10.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728   10.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   10.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875    9.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5288    8.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2701    9.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2701   10.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5288   10.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    9.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728    8.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5288    8.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8181    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8181    6.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5288    6.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395    6.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9849   10.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728   11.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   10.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728    8.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5288    5.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4010    7.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8288    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 10 20  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100052

> <COMMON_NAME>
Exostemin

> <SYSTEMATIC_NAME>
8-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NBXASEHAOQMXCJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-8-15(19)24-18-16(12)13(22-2)9-14(23-3)17(18)20/h4-9,20H,1-3H3

> <SMILES>
C1(OC)C=C(OC)C2C(C3C=CC(OC)=CC=3)=CC(=O)OC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10471697

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$