LMPK12112982
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4217   -5.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4217   -6.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2153   -7.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0091   -6.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0091   -5.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2153   -5.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8028   -7.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966   -6.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966   -5.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8028   -5.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   -5.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2316   -5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727   -5.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727   -4.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2316   -4.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   -4.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2153   -8.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8028   -8.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8666   -4.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6280   -7.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6280   -5.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904   -7.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8666   -5.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3905   -8.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8666   -6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6280   -4.4717    0.0000 C   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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 21  1  0  0  0  0
  8 22  1  0  0  0  0
 13 23  1  0  0  0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
 21 26  1  0     0  0
M  END
> <LM_ID>
LMPK12112982

> <COMMON_NAME>
Chrysosplenol C

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

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,7,3'-trimethylquercetagetin

> <INCHI_KEY>
QQBSPLCHDUCBNM-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
C10031

> <HMDB_ID>
-

> <CHEBI_ID>
3690

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
189065

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 78268

> <CITATION>
-

$$$$