LMPK12070062
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.8651    7.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8793    7.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5366    6.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1798    7.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656    8.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084    8.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8371    6.9017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4803    7.2893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4661    8.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    8.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0071    6.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7553    6.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0478    6.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2080    5.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9534    5.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2458    6.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7931    6.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    6.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605    7.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4444    8.7930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7242    9.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9955    8.7308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 18 15  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  6  0  0  0
  2 21  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070062

> <COMMON_NAME>
(-)-Sparticarpin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QXSOYBBYHNOUSH-SJCJKPOMSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-15-6-11-13(7-16(15)20-2)21-8-12-10-4-3-9(18)5-14(10)22-17(11)12/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1

> <SMILES>
C1(OC)=CC2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C=2C=C1OC

> <KEGG_ID>
C10531

> <HMDB_ID>
-

> <CHEBI_ID>
118

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442823

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$