LMPK12020017
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2703    6.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9867    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7030    5.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7030    6.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9867    6.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4195    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1358    5.6611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1358    6.4882    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4195    6.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8156    5.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737    6.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4983    6.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2230    6.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2230    7.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4983    8.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737    7.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9468    8.1113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4983    8.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9468    6.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  1 11  1  0  0  0  0
  8 12  1  1  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020017

> <COMMON_NAME>
Robinetinidol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H14O6

> <MASS>
290.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GMPPKSLKMRADRM-SWLSCSKDSA-N

> <INCHI>
InChI=1S/C15H14O6/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8/h1-2,4-6,12,15-20H,3H2/t12-,15+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)CC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68327

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12314983

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$