LMPK12020082
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.6327    7.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6327    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0504    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0504    7.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    7.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7593    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4682    6.4745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4682    7.2931    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7593    7.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768    7.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6217    7.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6217    8.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768    8.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9241    7.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3439    8.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    8.5282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6262    8.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110    8.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    5.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768    6.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3439    7.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562    8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    8.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    9.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733   10.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562    9.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066   10.1824    0.0000 O   0  0  0  0  0  0  0  0  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 24  1  6  0  0  0
 13 25  1  0  0  0  0
 19 26  1  1  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020082

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one

> <FORMULA>
C24H20O8

> <MASS>
436.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NHAIWTJLRMSZKP-LEDSTXDGSA-N

> <INCHI>
InChI=1S/C24H20O8/c25-13-4-1-11(2-5-13)14-9-21(30)31-20-10-17(27)15-8-19(29)23(32-24(15)22(14)20)12-3-6-16(26)18(28)7-12/h1-7,10,14,19,23,25-29H,8-9H2/t14-,19+,23+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168028

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257102

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$