LMPK12140048
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0     0  0            999 V2000
    7.5153    8.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5153    7.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3955    6.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2759    7.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2759    8.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3955    9.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562    6.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0365    7.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0365    8.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562    9.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1562    6.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561    9.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8365    8.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7168    9.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7168   10.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8365   10.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561   10.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6836    8.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2810    9.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6836   10.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2836    9.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7918    8.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8083    8.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3167    9.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8083   10.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7918   10.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0892    9.5437    0.0000 O   0  0  0  0  0  0  0  0  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
  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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140048

> <COMMON_NAME>
Lophirone I

> <SYSTEMATIC_NAME>
(S)-2,3-Dihydro-7-hydroxy-2-[2-(4-hydroxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one

> <FORMULA>
C23H16O5

> <MASS>
372.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKAOXSDPCYTXNP-QFIPXVFZSA-N

> <INCHI>
InChI=1S/C23H16O5/c24-16-4-1-13(2-5-16)21-10-15-9-14(3-8-20(15)27-21)22-12-19(26)18-7-6-17(25)11-23(18)28-22/h1-11,22,24-25H,12H2/t22-/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=CC4OC(C5C=CC(O)=CC=5)=CC=4C=3)CC(=O)C2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185806

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607815

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
670087; 33090

> <CITATION>
-

$$$$