LMPK12080032
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.6876    8.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6876    7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3752    7.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    7.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    8.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3752    8.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506    7.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382    7.6627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4382    8.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506    8.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1259    7.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1259    6.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8611    5.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5962    6.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5962    7.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8611    7.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4036    6.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4036    7.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382    6.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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  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
  1  2  1  0  0  0  0
  1 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 15  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080032

> <COMMON_NAME>
Astraciceran

> <SYSTEMATIC_NAME>
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PYIXHKGTJKCVBJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-19-15-7-17-16(21-9-22-17)6-13(15)11-4-10-2-3-12(18)5-14(10)20-8-11/h2-3,5-7,11,18H,4,8-9H2,1H3

> <SMILES>
C1(O)C=CC2CC(C3C=C4OCOC4=CC=3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156986

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$