LMPK12050277
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    7.5693   12.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5693   11.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4064   10.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435   11.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435   12.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4064   12.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806   10.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177   11.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177   12.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806   12.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   10.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544    9.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495    9.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5444    9.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5444   10.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495   11.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0806    9.8516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8642    8.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8920    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3122    9.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4082    7.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4385    7.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8931    6.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9274    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4064    9.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8604    9.2735    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
  7 18  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050277

> <COMMON_NAME>
Lupinisoflavone D

> <SYSTEMATIC_NAME>
5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one

> <FORMULA>
C20H18O7

> <MASS>
370.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FEZXFNWSKGIOKM-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC=C4OC(C(O)(C)C)CC4=C3O)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186546

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5378771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$