LMPK12120087
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.6911    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5828    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5828    8.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6911    9.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7994    8.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7994    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2579    8.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2579    7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1101    7.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9624    7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9624    8.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1101    9.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5513    7.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4765    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3311    7.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5513    6.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8147    7.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6671    7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6671    8.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8147    9.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0875    9.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3717    8.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0239    9.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6911    6.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8186    7.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9357    7.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9558    7.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6896    6.1244    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  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  2  0  0  0  0
 15  8  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 11  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  0  0  0  0
  1 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120087

> <COMMON_NAME>
Paratocarpin C

> <SYSTEMATIC_NAME>
(E)-1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one

> <FORMULA>
C25H26O4

> <MASS>
390.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RJZJSZWLTLYSAY-UXBLZVDNSA-N

> <INCHI>
InChI=1S/C25H26O4/c1-16(2)5-8-19-22(27)11-9-20(24(19)28)21(26)10-6-17-7-12-23-18(15-17)13-14-25(3,4)29-23/h5-7,9-15,27-28H,8H2,1-4H3/b10-6+

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C=CC=1C(=O)/C=C/C1C=C2C=CC(C)(C)OC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607538

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$