LMPK12140693
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.9037   -6.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9037   -7.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7655   -8.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6276   -7.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6276   -6.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7655   -6.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4895   -8.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3515   -7.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3515   -6.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4895   -6.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2130   -6.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0913   -6.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9698   -6.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9698   -5.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0913   -4.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2130   -5.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4895   -9.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7655   -9.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7655   -5.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0913   -3.6647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0913   -7.7213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8479   -4.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7099   -5.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0377   -6.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0377   -5.1977    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  1  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  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 15 20  2  0  0  0  0
 12 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0     0  0
 24 25  1  0     0  0
M  END
> <LM_ID>
LMPK12140693

> <COMMON_NAME>
Breverin

> <SYSTEMATIC_NAME>
2-(5-hydroxy-7-methoxy-8-methyl-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JBSVSRAOSBYWPO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-8-14(23-2)6-12(21)17-13(22)7-15(25-18(8)17)9-4-11(20)16(24-3)5-10(9)19/h4-6,15,21H,7H2,1-3H3

> <SMILES>
C1(OC)=C(C)C2OC(C3=CC(=O)C(OC)=CC3=O)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608129

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4610

> <CITATION>
-

$$$$