LMPK12113357
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.4013    7.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3974    6.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756    6.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578    6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7616    7.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0834    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359    6.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1180    6.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1219    7.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436    7.8256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4320    5.4694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8040    7.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4953    7.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1906    7.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1945    8.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5034    9.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    8.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7231    7.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0716    5.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8767    9.0015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8688    7.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    9.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6193    6.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1180    5.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1768    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6907    8.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3020    9.5714    0.0000 C   0  0  0  0  0  0  0  0  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
  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
  2 23  1  0  0  0  0
  8 25  1  0  0  0  0
  6 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113357

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone

> <FORMULA>
C18H16O10

> <MASS>
392.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
STOZTZBHYTVXHP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O10/c1-25-16-11(22)9-12(23)17(26-2)14(28-15(9)18(27-3)13(16)24)6-4-7(19)10(21)8(20)5-6/h4-5,19-22,24H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11383767

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$