LMPK12050279
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
   10.2797    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2797    8.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1279    7.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9761    8.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9761    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1279    9.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8242    7.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6724    8.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6724    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8242    9.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5202    7.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5202    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4271    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3337    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3337    7.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4271    8.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    9.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7727    8.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    8.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1279    6.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8242    6.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2397    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7935    8.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042    9.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042    8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4271    9.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9104    0.0000 O   0  0  0  0  0  0  0  0  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 14 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 16 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050279

> <COMMON_NAME>
Lupinisoflavone B

> <SYSTEMATIC_NAME>
(2R)-6-(2,4-Dihydroxyphenyl)-2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-fur[3,2-g][1]benzopyran-5-one

> <FORMULA>
C20H18O7

> <MASS>
370.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MPYLJLHMKWTFTC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O7/c1-20(2,25)16-6-11-14(27-16)7-15-17(18(11)23)19(24)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3

> <SMILES>
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=C(O)C=C(O)C=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
632835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$