LMPK12070017
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.1431   -4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1431   -5.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574   -5.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7716   -5.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7716   -4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574   -3.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5858   -5.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3999   -5.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3999   -4.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5858   -3.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2139   -5.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2139   -6.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0844   -7.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9551   -6.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9551   -5.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0844   -5.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5942   -6.5619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289   -3.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8247   -7.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0844   -8.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2165   -8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3503   -8.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3505   -7.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4841   -8.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5314   -8.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6634   -8.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7973   -8.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   -7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9310   -8.5049    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070017

> <COMMON_NAME>
Lespedezin

> <SYSTEMATIC_NAME>
10-Geranyl-3,9-dihydroxypterocarpan

> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UYJNAIAJIBWJFS-FRKPEAEDSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-15(2)5-4-6-16(3)7-9-19-22(27)12-11-18-21-14-28-23-13-17(26)8-10-20(23)25(21)29-24(18)19/h5,7-8,10-13,21,25-27H,4,6,9,14H2,1-3H3/b16-7+

> <SMILES>
C1(O)C=CC2C3OC4=C(C/C=C(/CC/C=C(/C)\C)\C)C(O)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257435

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 701537

> <CITATION>
-

$$$$