LMPK12100014
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.2745   10.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434   11.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122   10.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122    9.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9131    9.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8140    9.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8140   10.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9131   11.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745    9.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434    9.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9131    8.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0494    7.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0494    6.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9131    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7769    6.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7769    7.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7142   11.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434    8.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5376    9.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4058    9.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991    9.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4058    8.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9349   12.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9369   12.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5289   11.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4354   13.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9369   14.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4325   13.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8941   14.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5375   10.8839    0.0000 C   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
 10 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25  1  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 21 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100014

> <COMMON_NAME>
MAB3

> <SYSTEMATIC_NAME>
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AVIZABGQXBMRCJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-5-13(2)21(27)20-22(28)19-15(14-9-7-6-8-10-14)12-18(26)31-23(19)16-11-17(25(3,4)29)30-24(16)20/h6-10,12-13,17,28-29H,5,11H2,1-4H3

> <SMILES>
C12OC(C(C)(C)O)CC=1C1OC(=O)C=C(C3C=CC=CC=3)C=1C(O)=C2C(=O)C(C)CC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030713

> <CHEBI_ID>
175375

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21579161

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 999584

> <CITATION>
-

$$$$