LMPK12110919
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.7607    8.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7607    7.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417    7.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5225    7.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5225    8.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417    9.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4034    7.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842    7.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842    8.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4034    9.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4034    6.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648    9.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0627    8.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9604    9.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9604   10.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0627   10.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648   10.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7735   10.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417    6.1181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0627    7.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648    7.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6417   10.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7607   10.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799   10.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799    9.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047   11.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9258    7.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8227    7.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8920    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8365    6.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4035   10.6452    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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
  3 19  1  0  0  0  0
  8 21  1  0  0  0  0
 21 20  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  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
 24 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110919

> <COMMON_NAME>
Morusinol

> <SYSTEMATIC_NAME>
2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Oxydihydromorusin

> <INCHI_KEY>
AFOKZNPZDXHDHD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C(O)=CC(O)=CC=3)=C(CCC(O)(C)C)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030620

> <CHEBI_ID>
175531

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481968

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3498

> <CITATION>
-

$$$$