LMPK12140678
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.0166   -5.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0166   -6.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897   -7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -6.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -5.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897   -5.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360   -7.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5091   -6.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5091   -5.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360   -5.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3820   -5.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2718   -5.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1618   -5.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1618   -4.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2718   -3.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3820   -4.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6360   -8.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1439   -7.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897   -8.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0236   -8.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1506   -5.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897   -4.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7557   -3.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1505   -4.4529    0.0000 C   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  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
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0     0  0
 19 20  1  0     0  0
  1 21  1  0     0  0
  6 22  1  0     0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK12140678

> <COMMON_NAME>
Isopedicin

> <SYSTEMATIC_NAME>
6-Hydroxy-5,7,8-trimethoxy-2-phenylchroman-4-one

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CSVYPJWNGKLMJM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-21-15-13-11(19)9-12(10-7-5-4-6-8-10)24-16(13)18(23-3)17(22-2)14(15)20/h4-8,12,20H,9H2,1-3H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608122

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49037

> <CITATION>
-

$$$$