LMPK12070016
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0            999 V2000
    9.0390   -4.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0390   -5.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8467   -5.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6546   -5.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6546   -4.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8467   -4.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624   -5.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2702   -5.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2702   -4.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624   -4.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0778   -5.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0778   -6.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9415   -7.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8053   -6.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8053   -5.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9415   -5.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4710   -6.9828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2311   -4.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6682   -7.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3919   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2547   -3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1176   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2547   -2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3818   -4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9415   -8.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8026   -8.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8026   -9.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9433  -10.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6620  -10.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5561   -6.4086    0.0000 H   0  0  0  0  0  0  0  0  0  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  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
  1 18  1  0     0  0
 14 19  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
  8 24  1  6     0  0
 24 20  1  0     0  0
 13 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
  7 30  1  6     0  0
M  END
> <LM_ID>
LMPK12070016

> <COMMON_NAME>
Lespein

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-6a,10-diprenylpterocarpan

> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGNQSOKFJXFNBK-DQEYMECFSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-15(2)5-7-18-21(27)10-9-20-23(18)29-24-19-8-6-17(26)13-22(19)28-14-25(20,24)12-11-16(3)4/h5-6,8-11,13,24,26-27H,7,12,14H2,1-4H3/t24-,25-/m0/s1

> <SMILES>
C1(O)C=CC2[C@]3([H])OC4=C(C/C=C(/C)\C)C(O)=CC=C4[C@]3(C/C=C(/C)\C)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102117116

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 701537

> <CITATION>
-

$$$$