LMPK12111505
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    6.6457    7.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6457    6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9330    6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9330    7.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893    7.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2203    6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2203    7.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    7.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    5.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    7.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5200    7.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    7.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5199    8.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5199    9.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8197    8.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464    8.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893    5.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2203    8.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2203   10.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0020    6.3218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893    8.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2913    9.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8197    7.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8216    8.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0020    7.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0020    8.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  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  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
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
  2 25  1  0  0  0  0
  6 27  1  0  0  0  0
 14 29  1  0  0  0  0
  1 31  1  0  0  0  0
 15 19  1  0  0  0  0
  3 21  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111505

> <COMMON_NAME>
Agehoustin C

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H24O10

> <MASS>
448.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KRJLTJWSTDCFMW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O10/c1-25-13-8-10(16(26-2)15(24)17(13)27-3)12-9-11(23)14-18(28-4)20(29-5)22(31-7)21(30-6)19(14)32-12/h8-9,24H,1-7H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C(OC)=C(O)C(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13914992

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$