LMPK12113062
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.9722    8.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9672    7.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7697    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5771    7.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5819    8.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7797    8.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3794    7.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1868    7.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1916    8.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3893    8.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3745    6.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9991    8.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167    8.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6396    8.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6446    9.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8269   10.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042    9.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7648    6.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2017   10.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9672    6.6575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1062    7.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0059    6.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1044    9.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512    9.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5075    7.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6446   10.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6783   11.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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
 28 29  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
 17 19  1  0  0  0  0
  2 20  1  0  0  0  0
  8 22  1  0  0  0  0
 14 24  1  0  0  0  0
 15 28  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113062

> <COMMON_NAME>
Brickellin

> <SYSTEMATIC_NAME>
5,2'-Dihidroxy-3,6,7,4',5'-pentamethoxyflavone

> <FORMULA>
C20H20O9

> <MASS>
404.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
USWPTYUGAMOLAB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O9/c1-24-11-6-9(10(21)7-12(11)25-2)18-20(28-5)17(23)15-13(29-18)8-14(26-3)19(27-4)16(15)22/h6-8,21-22H,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13871363

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1550871

> <CITATION>
-

$$$$