LMPK12120086
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.5908    5.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    6.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908    7.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8440    7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8440    6.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1426    5.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9190    6.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7122    5.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5877    6.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    5.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0816    6.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0816    7.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    7.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5877    7.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8285    5.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5754    6.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5754    7.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8285    7.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9120    7.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0816    6.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1426    5.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2431    7.5547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908    5.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    5.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    6.3926    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4324    7.0056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6437    5.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6437    5.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3089    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
  2  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  7 22  2  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  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120086

> <COMMON_NAME>
Angusticornin A

> <SYSTEMATIC_NAME>
3,4-(2,2-Dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone

> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IPBCKEVUQOQGHF-VMPITWQZSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-15(2)22(28)14-19-21(27)9-7-18(24(19)29)20(26)8-5-16-6-10-23-17(13-16)11-12-25(3,4)30-23/h5-13,22,27-29H,1,14H2,2-4H3/b8-5+

> <SMILES>
C1(O)C(CC(C(C)=C)O)=C(O)C=CC=1C(=O)/C=C/C1C=CC2OC(C)(C)C=CC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21580533

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$