LMPK12160053
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   11.0812    9.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1022    8.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9803    8.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8376    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8166    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9383   10.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7154    8.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5723    8.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6734   10.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4501    8.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4727    7.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4116    6.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3282    7.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3056    8.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3667    8.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2034   10.3005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5514    9.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7364    7.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    9.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520   10.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7764    9.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7954    8.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900    8.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3654    8.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255   10.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    7.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4034    7.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1789    7.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1599    8.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4244    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9384    8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9595    7.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9855    6.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5169    6.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 34 35  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  8 17  1  0  0  0  0
  7 18  2  0  0  0  0
 19 16  1  0  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  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  1  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 13 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160053

> <COMMON_NAME>
4-O-alpha-Cadinylangolensin

> <SYSTEMATIC_NAME>
[R,(-)]-1-(2-Hydroxyphenyl-4-O-alpha-Cadinyl)-2-(4-methoxyphenyl)-1-propanone

> <FORMULA>
C31H40O4

> <MASS>
476.29

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RVLYYCCWEKBFCF-KFEYKLBZSA-N

> <INCHI>
InChI=1S/C31H40O4/c1-19(2)25-15-16-31(5,28-14-7-20(3)17-27(25)28)35-24-12-13-26(29(32)18-24)30(33)21(4)22-8-10-23(34-6)11-9-22/h8-13,17-19,21,25,27-28,32H,7,14-16H2,1-6H3/t21?,25?,27?,28?,31-/m0/s1

> <SMILES>
C1(O[C@]2(C)C3CCC(C)=CC3C(C(C)C)CC2)C=CC(C(=O)C(C)C2=CC=C(OC)C=C2)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185649

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260116

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 182271

> <CITATION>
-

$$$$