LMPK12120417
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.7684    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7684    6.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4752    5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    6.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4752    7.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4752    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8884    7.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8884    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5929    6.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2974    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4111    6.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4111    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066    7.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8884    5.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    8.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9591    8.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2974    5.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4037    8.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  9 18  2  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
 11 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120417

> <COMMON_NAME>
Syzygiol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GVAQGCYXZYJWML-XFXZXTDPSA-N

> <INCHI>
InChI=1S/C18H18O5/c1-18(2)15(23-3)10-14(21)16(17(18)22)13(20)9-12(19)11-7-5-4-6-8-11/h4-10,19,21H,1-3H3/b12-9-

> <SMILES>
C1(OC)C(C)(C)C(=O)C(C(=O)/C=C(\O)/C2C=CC=CC=2)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137879

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9972913

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$