LMPK12020294
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
    5.2250    6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910    6.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590    6.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9570    6.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8230    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8230    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9570    4.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930    6.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6890    6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6890    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5551    8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4211    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4211    6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5551    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2871    8.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1532    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    8.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    8.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5270    7.6161    0.0000 C   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
 18 19  1  0     0  0
 11 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22  1  1  0     0  0
 20 23  1  0     0  0
 20 24  1  0     0  0
M  END
> <LM_ID>
LMPK12020294

> <COMMON_NAME>
Acutifolin C

> <SYSTEMATIC_NAME>
2-(4-methoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromene

> <FORMULA>
C21H22O3

> <MASS>
322.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVXCNINFCRFDNV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O3/c1-21(2)13-12-17-19(24-21)11-7-15-6-10-18(23-20(15)17)14-4-8-16(22-3)9-5-14/h4-5,7-9,11-13,18H,6,10H2,1-3H3

> <SMILES>
C12C=CC(C)(C)OC=1C=CC1CCC(C3=CC=C(OC)C=C3)OC2=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10925322

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1835378

> <CITATION>
11754597

$$$$