LMPK12120332
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0  0  0  0  0999 V2000
   12.2949    7.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2949    6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110    6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110    7.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029    8.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6952    6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4032    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874    6.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    6.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874    5.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5701    8.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8666    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8666    6.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5701    6.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5701    5.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1633    8.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1633    6.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4413    6.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4413    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7199    6.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7199    7.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9765    8.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6845    7.7131    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120332

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3'-Angeloyloxy-2',4'-dihydroxy-6'-methoxychalcone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZQUOUZKTJWTBQE-VVWRKKLTSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h4-12,23-24H,1-3H3/b11-10+,13-4-

> <SMILES>
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C(OC(/C(=C\C)/C)=O)C(O)=CC=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607628

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$