LMPK12020295
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    5.2251    6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0911    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0911    5.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251    4.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3591    5.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3591    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    6.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8231    6.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8231    5.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    4.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    6.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6891    6.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6891    7.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5553    8.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213    7.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213    6.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5553    6.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2873    8.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910    8.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0909    9.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  6 11  1  0     0  0
  8 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 12  2  0     0  0
 15 18  1  0     0  0
 19  1  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMPK12020295

> <COMMON_NAME>
Acutifolin F

> <SYSTEMATIC_NAME>
8-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IYBCLDNCTNLTDC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O4/c18-10-9-14-15(20)7-3-12-4-8-16(21-17(12)14)11-1-5-13(19)6-2-11/h1-3,5-7,16,18-20H,4,8-10H2

> <SMILES>
C1(CCO)=C(O)C=CC2CCC(C3=CC=C(O)C=C3)OC1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11748139

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1835378

> <CITATION>
11754597

$$$$