LMPK12070094
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.5941   12.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5941   11.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040   10.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2139   11.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2139   12.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040   12.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0237   10.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8336   11.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8336   12.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0237   12.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6432   10.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6432    9.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    9.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3751    9.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3751   10.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091   11.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0237    9.8454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2367    9.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    8.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3707    7.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3707    6.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2323    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040    9.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4442    9.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  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
 14 18  1  0  0  0  0
  1 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
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070094

> <COMMON_NAME>
1-Methoxyphaseollidin

> <SYSTEMATIC_NAME>
3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YKTZRMXYANFKQR-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=C(OC)C2C3OC4=C(C/C=C(/C)\C)C(O)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029319

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257468

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3891

> <CITATION>
-

$$$$