LMPK12020162
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.9003    9.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9003    8.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7541    7.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6079    8.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6079    9.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7541    9.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    7.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3155    8.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3155    9.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    9.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1693    9.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0396    9.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9099    9.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9099   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0396   11.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1693   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    6.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7541   10.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9003   11.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0465   10.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0465    9.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5535   11.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605   10.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7541    6.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8508    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020162

> <COMMON_NAME>
Hildgardtol B

> <SYSTEMATIC_NAME>
4-Hydroxy-5-methoxy-8,8-dimethyl-8H-pyrano[2,3-h]flavan

> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
REBMVOUERBNGPI-CVEARBPZSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,15-16,22H,11H2,1-3H3/t15-,16+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676332

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$