LMPK12113000
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1300   -6.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1456   -7.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9826   -8.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8041   -7.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7882   -6.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9511   -6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6410   -8.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4623   -7.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4465   -6.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6095   -6.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6569   -9.0913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2677   -6.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1209   -6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9579   -6.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9418   -5.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0886   -4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2518   -5.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2928   -6.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9985   -9.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727   -3.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7994   -4.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6736   -5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364   -8.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3529   -9.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2879   -8.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4138   -7.7243    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0     0  0
 21 22  1  0     0  0
  8 23  1  0     0  0
 23 24  1  0     0  0
  2 25  1  0     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMPK12113000

> <COMMON_NAME>
Centaureidin

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

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Desmethoxycentaureidine; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one; Quercetagetin 3,4',6-trimethyl ether

> <INCHI_KEY>
BZXULYMZYPRZOG-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0130255

> <CHEBI_ID>
69356

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315773

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 351340

> <CITATION>
-

$$$$