LMPK12112525
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8647    7.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8647    6.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363    6.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2080    6.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2080    7.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363    7.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8796    6.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5513    6.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5513    7.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8796    7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8796    5.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    7.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9073    7.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    7.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    8.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9073    9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    8.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363    5.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2635    9.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5513    9.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2635    7.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2635    6.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    6.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    5.2184    0.0000 C   0  0  0  0  0  0  0  0  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
  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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
  1 23  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112525

> <COMMON_NAME>
Chrysosplenol F

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FJFLYDSOXABNGE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-8-4-12(21)15-14(5-8)26-17(18(25-3)16(15)22)9-6-13(24-2)11(20)7-10(9)19/h4-7,19-21H,1-3H3

> <SMILES>
C1(OC)=CC2OC(C3C(O)=CC(O)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491448

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$