LMPK12100058
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.6673   10.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5365   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4054   10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4054    9.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3068    9.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2079    9.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2079   10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3068   11.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6673    9.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5365    9.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3068    8.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4427    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4427    6.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3068    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1706    6.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1706    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1083   11.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5401    8.1334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7985    9.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    9.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7985    8.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294   10.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7983   11.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234   11.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   11.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234   12.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   12.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8954   13.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253   12.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8954   14.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0692   12.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2253   14.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1333   12.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  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
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  2  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100058

> <COMMON_NAME>
Calofloride

> <SYSTEMATIC_NAME>
4,8-Dihydro-5-hydroxy-8,8-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2,7(3H)-dione

> <FORMULA>
C30H36O5

> <MASS>
476.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRAJBIXUJCADOI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C30H36O5/c1-7-20(6)26(32)25-27(33)24-22(21-11-9-8-10-12-21)17-23(31)35-29(24)30(28(25)34,15-13-18(2)3)16-14-19(4)5/h8-14,20,22,33H,7,15-17H2,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197125

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676132

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 999559

> <CITATION>
-

$$$$