LMPK12070148
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    7.1647    9.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1647    8.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    7.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7938    8.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7938    9.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    9.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    7.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4228    8.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4228    9.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    9.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2371    7.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2371    6.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1080    6.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9789    6.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9789    7.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1080    8.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    6.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8489    6.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    6.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    7.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8498    8.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2229    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    6.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
  1  2  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  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070148

> <COMMON_NAME>
3-O-Methylanhydrotuberosin

> <SYSTEMATIC_NAME>
3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene

> <FORMULA>
C21H18O4

> <MASS>
334.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SZUPCOMPPYQJSI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O4/c1-21(2)7-6-12-8-15-16-11-23-18-9-13(22-3)4-5-14(18)20(16)24-19(15)10-17(12)25-21/h4-10H,11H2,1-3H3

> <SMILES>
C1(OC)=CC2OCC3C4C=C5C=CC(C)(C)OC5=CC=4OC=3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166647

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23276528

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
16441081

$$$$