LMPK12020197
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.9013    9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    8.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    8.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6098    9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    9.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3184    8.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3184    9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641    9.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1726    9.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0433    9.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9140    9.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9140   10.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0433   11.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1726   10.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641    6.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1726    7.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556   10.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013   11.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470   10.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470    9.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5538   11.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    6.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8526    6.0606    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  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020197

> <COMMON_NAME>
Quercetol A

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

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
APXKYALORJTRLL-GBESFXJTSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-21(2)10-9-13-14(26-21)11-15(24-3)16-17(22)18(23)19(25-20(13)16)12-7-5-4-6-8-12/h4-11,17-19,22-23H,1-3H3/t17-,18-,19+/m0/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1O[C@H](C3C=CC=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>
44257151

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$