LMPK12050510
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    6.8942    9.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8942    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    7.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5615    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5615    9.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    9.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3951    7.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2286    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2286    9.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3951    9.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    7.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    6.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9535    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8448    6.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8448    7.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9535    8.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3951    6.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    6.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    9.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2286    7.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6785    8.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6785    6.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9762    6.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050510

> <COMMON_NAME>
Bolusanthin

> <SYSTEMATIC_NAME>
3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone

> <FORMULA>
C16H14O7

> <MASS>
318.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCIMIGGTZKYBOR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O7/c1-22-12-3-2-8(4-10(12)18)16(21)7-23-13-6-9(17)5-11(19)14(13)15(16)20/h2-6,17-19,21H,7H2,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187979

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
188524

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53838

> <CITATION>
-

$$$$