LMPK12020213
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.5053    7.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5053    6.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106    6.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9161    6.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9161    7.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106    7.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    6.3373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3267    6.7444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3267    7.5589    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6214    7.9661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320    7.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7507    7.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4696    7.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4696    8.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7507    9.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320    8.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    5.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0320    6.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106    8.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5053    9.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8000    7.9661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8143    8.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    9.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749    9.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106    5.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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  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
  7 17  1  1  0  0  0
  8 18  1  1  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 14 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020213

> <COMMON_NAME>
4beta-Hydroxyobovatachromene

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GUGLXICOVCCFRU-GBESFXJTSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-21(2)9-8-13-14(27-21)10-15(25-3)16-17(23)18(24)19(26-20(13)16)11-4-6-12(22)7-5-11/h4-10,17-19,22-24H,1-3H3/t17-,18-,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257164

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$