LMPK12050246
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.7598   10.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7598    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154    8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709   10.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154   10.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3266    8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821   10.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3266   10.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377    8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377    7.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8673    7.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8673    8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    9.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3266    7.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154    7.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7228    7.0826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9043   10.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045    8.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486   10.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5547   10.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5785    7.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4340    7.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2896    7.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1454    7.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2896    8.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    6.0606    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20  1  1  0  0  0  0
  2 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050246

> <COMMON_NAME>
Isoauriculasin

> <SYSTEMATIC_NAME>
5-Hydroxy-7-[3-hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NOETZZITHRSTGU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O6/c1-14(2)8-10-29-19-6-5-15(11-18(19)26)17-13-30-21-12-20-16(7-9-25(3,4)31-20)23(27)22(21)24(17)28/h5-9,11-13,26-27H,10H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC(OC/C=C(\C)/C)=C(O)C=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178565

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257303

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$