LMPK12120506
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.1444   -9.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047   -9.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8703   -9.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8755   -8.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0154   -7.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1497   -8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7305   -9.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5961   -9.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4563   -9.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3219   -9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1699   -9.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0230   -9.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0282   -8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1804   -7.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3273   -8.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7251  -10.6438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9994  -10.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5984   -7.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -6.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1365   -6.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5112   -5.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8755   -4.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8703   -4.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5007   -5.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1777   -6.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1371   -6.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2474   -4.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6095   -3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2623   -4.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2864   -7.6341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2918   -6.6341    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
  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  5  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 20 25  1  1  0  0  0
 19 26  1  1  0  0  0
 23 27  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  6 30  1  0     0  0
 30 31  1  0     0  0
M  END
> <LM_ID>
LMPK12120506

> <COMMON_NAME>
Adunctin B

> <SYSTEMATIC_NAME>
rel-(+)-1-[(5aR,8R,9aR)-5a,8,9,9a-Tetrahydro-3-hydroxy-1-methoxy-8-(1-methylethyl)-4-dibenzofuranyl]-3-phenyl-1-propanone

> <FORMULA>
C26H30O4

> <MASS>
406.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HQPBWCKPGXUXIH-DGUDUIIESA-N

> <INCHI>
InChI=1S/C26H30O4/c1-16(2)18-12-13-26(3)19(14-18)23-22(29-4)15-21(28)24(25(23)30-26)20(27)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,18-19,28H,10-11,14H2,1-4H3/t18-,19-,26-/m0/s1

> <SMILES>
C1C(OC)=C2[C@]3([H])C[C@@H](C(C)C)C=C[C@]3(C)OC2=C(C(=O)CCC2C=CC=CC=2)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187501

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607687

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 130377

> <CITATION>
-

$$$$