LMPK12111487
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.3889    7.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3890    6.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    6.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7371    6.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7371    7.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    7.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4112    6.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    6.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0852    7.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4112    7.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4112    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7595    7.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4464    7.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1333    7.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1332    8.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4461    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7593    8.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8075    7.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4461    9.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106    8.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3558    8.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    7.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2735    7.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459    8.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6236    7.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6109    7.9288    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
 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
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
  2 23  1  0  0  0  0
  1 25  1  0  0  0  0
 15 27  1  0  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>


> <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

> <CITATION>
-

$$$$