LMPK12020159
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.8547    9.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8547    8.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7008    7.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5469    8.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5469    9.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7008    9.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928    7.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2389    8.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2389    9.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928    9.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0852    9.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9473    9.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8096    9.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8096   10.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9473   11.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0852   10.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978   10.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5261   10.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288    9.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0375   11.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5261   12.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3928    6.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4795    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7008    6.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  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  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
  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  1  0  0  0  0
 20 22  2  0  0  0  0
  3 25  1  0  0  0  0
  7 23  1  1  0  0  0
M  END
> <LM_ID>
LMPK12020159

> <COMMON_NAME>
Methylhildgardtol A

> <SYSTEMATIC_NAME>
8,9-Dihydro-4,5-dihydroxy-8-isopropenylfurano[2,3-h]flavan

> <FORMULA>
C22H24O4

> <MASS>
352.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KCRBILJKGXMJLI-WFTITGEASA-N

> <INCHI>
InChI=1S/C22H24O4/c1-13(2)16-10-15-18(25-16)12-20(24-4)21-19(23-3)11-17(26-22(15)21)14-8-6-5-7-9-14/h5-9,12,16-17,19H,1,10-11H2,2-4H3/t16?,17-,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$