LMPK12100018
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.2831   10.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545   11.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256   10.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256    9.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290    9.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8322    9.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8322   10.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290   11.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2831    9.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545    9.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290    8.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7950    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7950    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7349   11.1888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545   12.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2831   12.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545    8.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121   11.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5416    9.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121    9.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8010    9.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121    8.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2831   13.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1542   14.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121   14.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5415   10.6656    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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
  1 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23  9  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100018

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin

> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YALRCXHVQYBSJC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3

> <SMILES>
C1(O)C(C(=O)C(C)CC)=C(O)C2C(C3C=CC=CC=3)=CC(=O)OC=2C=1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030778

> <CHEBI_ID>
175251

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6483317

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 999584

> <CITATION>
-

$$$$