LMPK12070043
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0            999 V2000
    7.8790   -3.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8790   -4.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7166   -4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -3.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7166   -2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918   -4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2295   -4.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2295   -3.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918   -2.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668   -4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0668   -5.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9623   -6.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579   -5.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8579   -4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9623   -4.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3944   -5.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7525   -6.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0417   -2.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7166   -1.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793   -1.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793   -0.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0419   -0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7166   -0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7525   -4.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6472   -4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5420   -4.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4367   -4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5420   -3.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8301   -3.9831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7626   -5.2962    0.0000 H   0  0  0  0  0  0  0  0  0  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
 14 18  1  0     0  0
  1 19  1  0     0  0
  6 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 22 24  1  0     0  0
 15 25  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
  8 30  1  6     0  0
  7 31  1  6     0  0
M  END
> <LM_ID>
LMPK12070043

> <COMMON_NAME>
Erybraedin C

> <SYSTEMATIC_NAME>
(6aR,11aR)-3,9-Dihydroxy-4,8-diprenylpterocarpan

> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SAXBNTXROWQAKX-CPJSRVTESA-N

> <INCHI>
InChI=1S/C25H28O4/c1-14(2)5-7-16-11-19-20-13-28-24-17(8-6-15(3)4)21(26)10-9-18(24)25(20)29-23(19)12-22(16)27/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3/t20-,25-/m0/s1

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC[C@@]3([H])C4C=C(C/C=C(\C)/C)C(O)=CC=4O[C@@]3([H])C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21147013

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2708827

> <CITATION>
-

$$$$