LMPK12113052
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.2981    7.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2993    6.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850    6.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6697    6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6683    7.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9826    7.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3553    6.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0398    6.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0386    7.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528    7.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3566    5.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7232    7.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4220    7.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1196    7.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1183    8.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4194    8.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7218    8.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6122    7.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9864    5.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0360    8.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8054    7.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5081    6.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3603    5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5847    5.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9025    8.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5234    7.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  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  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
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
  2 22  1  0  0  0  0
  8 24  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113052

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone

> <FORMULA>
C18H16O9

> <MASS>
376.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GYDHMMZXCZJRCI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O9/c1-24-11-5-8(19)7(4-9(11)20)16-18(26-3)15(23)13-12(27-16)6-10(21)17(25-2)14(13)22/h4-6,19-22H,1-3H3

> <SMILES>
C1(O)=CC2OC(C3C(O)=CC(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0130279

> <CHEBI_ID>
180421

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13915680

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$