LMPK12020035
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5754    8.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754    7.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    7.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2621    7.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2621    8.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    9.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1056    7.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    7.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    8.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1056    9.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7918    9.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6586    8.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255    9.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5255   10.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6586   10.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7918   10.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    9.9406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3903   10.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    6.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266    7.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540    7.0146    0.0000 H   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
  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
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  1  0  0  0
  8 22  1  6  0  0  0
M  END
> <LM_ID>
LMPK12020035

> <COMMON_NAME>
Afzelechin

> <SYSTEMATIC_NAME>
[2R,3S,(+)]-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,5,7-triol

> <FORMULA>
C15H14O5

> <MASS>
274.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RSYUFYQTACJFML-DZGCQCFKSA-N

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

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

> <KEGG_ID>
C09320

> <HMDB_ID>
-

> <CHEBI_ID>
2507

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442154

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34324

> <CITATION>
-

$$$$