LMPK12050482
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    8.6063   12.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6063   11.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4550   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   11.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   12.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4550   12.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1521   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0005   11.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0005   12.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1521   12.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8490   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8490    9.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563    9.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6636    9.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6636   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563   11.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1521    9.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4550    9.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5122    9.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7577   12.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7577   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7577    9.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091    9.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091    8.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563    8.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6049    7.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6049    6.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4535    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0005    9.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0005    8.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  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
  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20  1  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 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
 12 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050482

> <COMMON_NAME>
Isosophoranone

> <SYSTEMATIC_NAME>
2,3-Dihydro-5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)-2-methoxyphenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C26H30O6

> <MASS>
438.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ARNVYCOTFWJTBS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(O)C(C/C=C(/C)\C)=C3OC)C(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10478290

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 256637

> <CITATION>
-

$$$$