LMPK12070121
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0            999 V2000
    8.5848   -3.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5848   -4.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1814   -4.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1814   -3.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831   -3.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9798   -4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7781   -4.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7781   -3.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9798   -3.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5761   -4.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5761   -5.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4296   -6.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2832   -5.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2832   -4.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4296   -4.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9822   -5.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6291   -3.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336   -3.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4296   -7.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2805   -7.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2805   -8.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4296   -9.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1317   -9.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2805   -9.8334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1341   -4.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1595   -5.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1341   -6.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -5.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0002   -5.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  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
 19  1  1  0  0  0  0
 13 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
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 15 26  1  0  0  0  0
 14 28  1  0  0  0  0
  7 29  1  6     0  0
 28 30  1  0     0  0
M  END
> <LM_ID>
LMPK12070121

> <COMMON_NAME>
Sphenostylin D

> <SYSTEMATIC_NAME>
(6aS,11aS)-3,6a-Dihydroxy-8,9-dimethoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan

> <FORMULA>
C22H26O7

> <MASS>
402.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WBVOLBHXLNDIRL-RBBKRZOGSA-N

> <INCHI>
InChI=1S/C22H26O7/c1-21(2,24)8-7-14-18-15(10-17(26-3)19(14)27-4)22(25)11-28-16-9-12(23)5-6-13(16)20(22)29-18/h5-6,9-10,20,23-25H,7-8,11H2,1-4H3/t20-,22+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13946357

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3839

> <CITATION>
-

$$$$