LMPK12070118
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0            999 V2000
    8.4563   -3.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563   -4.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591   -5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -4.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -3.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591   -3.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647   -5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6675   -4.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6675   -3.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8647   -3.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4701   -5.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4701   -6.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3285   -6.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868   -6.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868   -5.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3285   -4.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671   -6.1084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5232   -4.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6007   -3.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0425   -4.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3285   -7.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1842   -8.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1842   -9.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3285   -9.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0399   -9.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0425   -6.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2924   -5.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3584   -5.4904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
  8 18  1  6     0  0
 19  1  1  0     0  0
 15 20  1  0     0  0
 13 21  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 14 26  1  0     0  0
  7 28  1  6     0  0
M  END
> <LM_ID>
LMPK12070118

> <COMMON_NAME>
Sphenostylin B

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

> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VNKBPGVSBWRHTG-LEWJYISDSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-11(2)4-6-14-18-15(9-16(23)19(14)25-3)21(24)10-26-17-8-12(22)5-7-13(17)20(21)27-18/h4-5,7-9,20,22-24H,6,10H2,1-3H3/t20-,21+/m0/s1

> <SMILES>
C1(O)=CC2OC[C@@]3(O)C4C=C(O)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>
13946353

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3839

> <CITATION>
-

$$$$