LMPK12070119
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0            999 V2000
    8.4061   -4.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4061   -5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1934   -5.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9805   -5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9805   -4.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1934   -4.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7678   -5.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5552   -5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5552   -4.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7678   -4.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3419   -5.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3419   -6.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1836   -7.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0253   -6.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0253   -5.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1836   -5.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7703   -6.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3943   -4.9113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1836   -8.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0228   -8.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0228   -9.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1836  -10.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8617  -10.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5670   -4.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8643   -7.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8643   -5.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1365   -6.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7010   -4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7303   -5.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7304   -6.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
  8 18  1  6  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
  1 24  1  0  0  0  0
  7 27  1  6     0  0
 24 28  1  0     0  0
 26 29  1  0     0  0
 25 30  1  0     0  0
M  END
> <LM_ID>
LMPK12070119

> <COMMON_NAME>
Sphenostylin A

> <SYSTEMATIC_NAME>
(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan

> <FORMULA>
C23H26O6

> <MASS>
398.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BXBXADHYISQJMC-XZOQPEGZSA-N

> <INCHI>
InChI=1S/C23H26O6/c1-13(2)6-8-16-20-17(11-19(26-4)21(16)27-5)23(24)12-28-18-10-14(25-3)7-9-15(18)22(23)29-20/h6-7,9-11,22,24H,8,12H2,1-5H3/t22-,23+/m0/s1

> <SMILES>
C1(OC)=CC2OC[C@@]3(O)C4C=C(OC)C(OC)=C(C/C=C(/C)\C)C=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13946350

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3839

> <CITATION>
-

$$$$