LMPK12160021
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    9.8929    9.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8929    8.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7398    7.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5869    8.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5869    9.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7398    9.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4338    7.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2807    8.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2807    9.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4338    9.6225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1277    7.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1277    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0333    6.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9389    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9389    7.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0333    8.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0463    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0463    9.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1277    9.6225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0333    9.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7858    6.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1996    9.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1996    8.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2215    9.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106    9.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7398    6.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8277    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  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  2  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
  8 11  1  0  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
  2 17  1  0  0  0  0
  1 18  1  0  0  0  0
  9 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160021

> <COMMON_NAME>
Licopyranocoumarin

> <SYSTEMATIC_NAME>
(+)-3-(2,4-Dihydroxyphenyl)-8-(hydroxymethyl)-6,7-dihydro-8-methyl-5-methoxy-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one

> <FORMULA>
C21H20O7

> <MASS>
384.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MOBCUWLJOZHPQL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3

> <SMILES>
C12OC(C)(CO)CCC1=C(OC)C1C=C(C3C(O)=CC(O)=CC=3)C(=O)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038874

> <CHEBI_ID>
175896

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
122851

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$