LMPK12120490
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.7151    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307    5.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1465    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1465    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307    7.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8616    5.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5749    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2882    5.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147    5.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4280    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4280    7.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147    7.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    7.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8616    5.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8616    7.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4307    8.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    7.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3449    8.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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
  8 17  2  0  0  0  0
  5 18  1  0  0  0  0
  2 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120490

> <COMMON_NAME>
Myrigalon B

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H20O4

> <MASS>
300.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SGSWJLOWQDDBPP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H20O4/c1-11-16(20)15(17(21)12(2)18(11)22-3)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3

> <SMILES>
C1(OC)C(C)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037246

> <CHEBI_ID>
174874

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10086169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$