LMPK12050410
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.2440    7.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440    6.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335    6.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231    6.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231    7.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335    8.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3126    6.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0022    6.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0022    7.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3126    8.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    6.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1661    5.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1661    6.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289    6.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3126    5.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9758    5.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4762    6.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9758    6.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335    5.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  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  2  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  3 22  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050410

> <COMMON_NAME>
Dalspinin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6-methoxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C17H12O7

> <MASS>
328.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JPTHUHXDIAJESU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O7/c1-21-17-10(18)5-13-14(16(17)20)15(19)9(6-22-13)8-2-3-11-12(4-8)24-7-23-11/h2-6,18,20H,7H2,1H3

> <SMILES>
C1(O)C(OC)=C(O)C2C(=O)C(C3=CC4OCOC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5323563

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$