LMPK12120505
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.9112    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    7.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    7.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9112    7.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870    5.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8051    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    5.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2414    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9596    5.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6777    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6777    7.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9596    7.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2414    7.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870    5.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870    7.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0870    8.3355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4501    8.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0871    9.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3606    9.5934    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9975    8.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3606    8.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9460   10.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8051    7.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    8.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8051    7.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  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
  7 16  2  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 19 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120505

> <COMMON_NAME>
Adunctin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H32O4

> <MASS>
408.23

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GEIUOIVVQIIHRQ-SYCQMTRVSA-N

> <INCHI>
InChI=1S/C26H32O4/c1-18(2)26(14-12-19(3)13-15-26)30-24-17-21(29-4)16-23(28)25(24)22(27)11-10-20-8-6-5-7-9-20/h5-9,12,14,16-19,28H,10-11,13,15H2,1-4H3/t19?,26-/m0/s1

> <SMILES>
C1C(OC)=CC(O[C@@]2(C(C)C)C=CC(C)CC2)=C(C(=O)CCC2C=CC=CC=2)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607686

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$