LMPK12160610
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    8.6587    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8416    7.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2538    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8416    6.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248   10.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   10.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   12.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   12.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   13.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   14.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   15.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266   13.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 13  3  1  0  0  0  0
  2  3  2  0  0  0  0
 11  2  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160610

> <COMMON_NAME>
Epoxybergamottin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OOKSPQLCQUBEKU-MDWZMJQESA-N

> <INCHI>
InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+

> <SMILES>
C1(OC/C=C(/CCC2OC2(C)C)\C)=C2C(OC(=O)C=C2)=CC2=C1C=CO2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
171796

> <ABBREVIATION>
-

> <CAYMAN_ID>
19760

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9946625

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37656; 37656

> <CITATION>
12610742; 15969491

$$$$