LMPK12070095
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0            999 V2000
   10.2028   -4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2028   -5.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0421   -6.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8814   -5.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8814   -4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0421   -4.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7207   -6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5599   -5.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5599   -4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7207   -4.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3989   -6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3989   -7.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2963   -7.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1937   -7.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1937   -6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2963   -5.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7296   -7.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636   -4.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636   -6.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636   -7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5242   -7.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5242   -8.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6850   -7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0331   -7.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0421   -7.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201   -7.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1366   -5.3533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0898   -6.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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  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
 18  1  1  0     0  0
 12 17  1  0     0  0
  2 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 14 24  1  0     0  0
  3 25  1  0     0  0
  8 27  1  6     0  0
  7 28  1  6     0  0
M  END
> <LM_ID>
LMPK12070095

> <COMMON_NAME>
Edudiol

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HCBAFFVITJAXJE-YCRPNKLZSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,15,21-23H,6,10H2,1-3H3/t15-,21+/m0/s1

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(OC)C2[C@]3([H])OC4=CC(O)=CC=C4[C@]3([H])COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69095

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70698091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$