LMPK12120506
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.0123    6.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7018    5.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3955    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7103    7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0166    7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0849    5.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7786    6.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4680    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1617    6.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8413    5.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    6.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5292    6.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8497    7.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    6.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0806    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6975    5.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9790    7.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6130    8.3014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8074    8.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9091    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    9.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    9.5735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2979    8.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390    7.9611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4107    8.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0949   10.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850   10.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3054   10.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0166    5.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 30 31  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
 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  0
M  END
> <LM_ID>
LMPK12120506

> <COMMON_NAME>
Adunctin B

> <SYSTEMATIC_NAME>


> <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

> <CITATION>
-

$$$$