LMPK12020282
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.4930    7.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4930    6.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9011    6.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9011    7.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1969    7.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6052    6.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3092    6.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3092    7.5546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6052    7.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0133    7.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    7.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    8.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7309    9.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0133    8.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0281    8.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195    8.8412    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8890    8.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8130    9.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195   10.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    5.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1012    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  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
  9 11  1  6  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
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  1  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020282

> <COMMON_NAME>
Hildgardtene

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O3

> <MASS>
320.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VVPMOJMAMXGTAR-ZENAZSQFSA-N

> <INCHI>
InChI=1S/C21H20O3/c1-13(2)18-11-16-20(23-18)12-19(22-3)15-9-10-17(24-21(15)16)14-7-5-4-6-8-14/h4-10,12,17-18H,1,11H2,2-3H3/t17-,18?/m0/s1

> <SMILES>
C12OC(C(C)=C)CC=1C1O[C@H](C3C=CC=CC=3)C=CC=1C(OC)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179642

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257204

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$