LMPK12090043
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0  0  0  0  0  0  0  0999 V2000
    7.1486    7.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    6.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8303    6.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    6.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    7.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8303    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1937    6.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8754    6.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1937    7.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5568    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5568    5.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2857    5.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0146    5.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0146    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2857    6.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1958    5.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8754    7.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5571    7.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6962    5.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4672    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7872    6.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4672    7.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7872    7.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    8.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8303    5.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7059    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
  1  2  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  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  1  0  0  0  0
 11 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17  9  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  2  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12090043

> <COMMON_NAME>
Gancaonin F

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H16O6

> <MASS>
364.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YURHIASRSSMERJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H16O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-9,22H,1-3H3

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C3OC4C=C(O)C=CC=4C=3C(=O)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186695

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317482

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$