LMPK12112998
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8709    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8710    6.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5489    6.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2267    6.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2267    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9044    6.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    6.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5824    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045    8.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9044    5.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2602    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9511    7.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6420    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6420    8.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    9.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2602    8.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5489    5.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512   10.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3198    9.2205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    6.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    5.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    6.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    5.2475    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
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 23  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112998

> <COMMON_NAME>
Chrysosplenol D

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

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetagetin 3,6,7-Trimethyl ether

> <INCHI_KEY>
BYWLLSQTJBXAPV-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C04552

> <HMDB_ID>
HMDB0130258

> <CHEBI_ID>
18016

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280699

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$