LMPK12113390
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    6.2700    7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    6.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859    5.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7018    6.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7018    7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859    7.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    5.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1335    6.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1335    7.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    7.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8491    7.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    7.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084    7.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084    8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    8.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8491    8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0378    8.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8553    5.8886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    6.3053    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3003    5.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    9.6511    0.0000 O   0  0  0  0  0  0  0  0  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
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 13  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113390

> <COMMON_NAME>
Fasciculiferin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H10O7

> <MASS>
314.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KTGIGCXEXRYMMK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O7/c17-6-1-2-7-12(3-6)22-14-8-4-10(18)11(19)5-9(8)16(21)23-15(14)13(7)20/h1-5,16-19,21H

> <SMILES>
C1(O)=CC2OC3C4C=C(O)C(O)=CC=4C(O)OC=3C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185651

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260090

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$