LMPK12160020
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    8.7298    9.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7298    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5763    7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4226    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4226    9.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5763    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2689    7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    9.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2689    9.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9616    7.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9616    6.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8664    6.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7713    6.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7713    7.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8664    8.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839    7.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8839    9.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9616    9.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8664    9.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6176    6.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378    9.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491    9.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5763    6.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6633    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160020

> <COMMON_NAME>
Isoglycycoumarin

> <SYSTEMATIC_NAME>
3,4-Dihydro-2,2-dimethyl-5-methoxy-7-(2,4-dihydroxyphenyl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-8-one

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PHHAXWBLJNBVNS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038873

> <CHEBI_ID>
175735

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14187587

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$