LMPK12111487
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.1033   -6.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1034   -7.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9204   -8.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -7.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -6.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9204   -6.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5545   -8.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3715   -7.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3715   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5545   -6.2028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5545   -9.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1888   -6.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0215   -6.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8541   -6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8539   -5.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0211   -4.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1886   -5.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9204   -9.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6713   -6.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0211   -3.8168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2374   -8.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3713   -7.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372   -6.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2371   -5.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9204   -5.2028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7864   -4.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7199   -4.7408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5860   -5.2407    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
  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
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
  2 21  1  0     0  0
 21 22  1  0     0  0
  1 23  1  0     0  0
 23 24  1  0     0  0
  6 25  1  0     0  0
 25 26  1  0     0  0
 15 27  1  0     0  0
 27 28  1  0     0  0
M  END
> <LM_ID>
LMPK12111487

> <COMMON_NAME>
Gardenin E

> <SYSTEMATIC_NAME>
3',5,5'-Trihydroxy-4',6,7,8-tetramethoxyflavone

> <FORMULA>
C19H18O9

> <MASS>
390.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
PKCHTMJVPXNXSA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O9/c1-24-15-10(21)5-8(6-11(15)22)12-7-9(20)13-14(23)17(25-2)19(27-4)18(26-3)16(13)28-12/h5-7,21-23H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196372

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3084508

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43486

> <CITATION>
-

$$$$