LMPK12020013
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.6009    7.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6009    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4696    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3385    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3385    7.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4696    8.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2074    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0763    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0763    7.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2074    8.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9006    6.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8499    8.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7286    7.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    8.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    9.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7286    9.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8499    9.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4855    9.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7286   10.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  1 11  1  0  0  0  0
  8 12  1  1  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020013

> <COMMON_NAME>
Fisetinidol

> <SYSTEMATIC_NAME>
(2R)-2alpha- (3,4-Dihydroxyphenyl) -3,4-dihydro-2H-1-benzopyran-3beta,7-diol

> <FORMULA>
C15H14O5

> <MASS>
274.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VFZYLYJWCROVLO-DZGCQCFKSA-N

> <INCHI>
InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2/t13-,15+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC2=CC=1

> <KEGG_ID>
C09735

> <HMDB_ID>
-

> <CHEBI_ID>
5066

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442397

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 139012

> <CITATION>
-

$$$$