LMPK12090016
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.1228    9.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1228    8.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9291    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7352    8.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7352    9.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9291    9.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5415    7.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3478    8.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3478    9.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5415    9.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1538    7.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1538    6.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0160    6.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8779    6.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8779    7.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0160    8.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1760    9.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5441    6.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7390    6.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    6.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6020    7.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7400    8.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0801    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5583    6.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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  2  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  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
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090016

> <COMMON_NAME>
Tuberostan

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H16O5

> <MASS>
348.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KIFXUUIGSBVTCM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H16O5/c1-21(2)7-6-11-8-14-17(10-15(11)26-21)24-19-13-5-4-12(23-3)9-16(13)25-20(22)18(14)19/h4-10H,1-3H3

> <SMILES>
C1(OC)=CC2OC(=O)C3C4C=C5C=CC(C)(C)OC5=CC=4OC=3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257532

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 457826

> <CITATION>
-

$$$$