LMPK12080023
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    9.4286   10.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4286    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2706    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1125   10.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2706   10.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9543    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7963    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7963   10.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9543   10.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6383    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6383    7.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5385    7.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4386    7.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4386    8.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5385    9.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2706   11.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5869   10.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7963    7.0664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4286   11.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5869   11.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449   11.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5869   12.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449   12.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027   13.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027   14.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   14.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449   14.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5385    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2806    7.0664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1467    7.5663    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  6 17  1  0  0  0  0
 18  1  1  0  0  0  0
 12 19  1  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 30 31  1  0     0  0
M  END
> <LM_ID>
LMPK12080023

> <COMMON_NAME>
Nitidulin

> <SYSTEMATIC_NAME>
3-[3,4-Dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-6-methoxy-1,2-benzenediol

> <FORMULA>
C26H30O5

> <MASS>
422.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GRHKVSQNMXZXME-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H30O5/c1-16(2)6-5-12-26(3)13-11-20-21(31-26)9-7-17-14-18(15-30-25(17)20)19-8-10-22(29-4)24(28)23(19)27/h6-11,13,18,27-28H,5,12,14-15H2,1-4H3

> <SMILES>
C12OC(C)(CC/C=C(\C)/C)C=CC=1C1OCC(C3=CC=C(OC)C(O)=C3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
630902

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$