LMPK12070130
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2885    9.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2906    8.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9755    8.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6586    8.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564    9.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9714    9.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    8.0662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0265    8.4628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0245    9.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3394    9.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5099    7.2941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2955    7.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6148    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7616    6.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5468    6.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8661    7.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4002    8.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7472    8.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    7.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1518    5.9764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7156    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6834    9.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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  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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  8 18  1  1  0  0  0
  7 19  1  1  0  0  0
 15 20  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070130

> <COMMON_NAME>
(-)-Variabilin

> <SYSTEMATIC_NAME>
6a-Hydroxy-3,9-dimethoxypterocarpan

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Homopisatin

> <INCHI_KEY>
VVPGAJNPGZZNBM-SJORKVTESA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1

> <SMILES>
C1(OC)=CC2OC[C@]3(O)C4C=CC(OC)=CC=4O[C@]3([H])C=2C=C1

> <KEGG_ID>
C10539

> <HMDB_ID>
-

> <CHEBI_ID>
123

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442828

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$