LMPK12112874
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.8161   -6.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8250   -7.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6495   -7.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651   -7.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563   -6.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6318   -5.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2895   -7.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050   -7.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0962   -6.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2717   -5.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2983   -8.4319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9119   -5.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7519   -6.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5832   -5.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5744   -4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7341   -4.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9027   -4.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6584   -8.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3900   -4.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455   -5.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9361   -4.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9637   -7.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0930   -7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9757   -7.4954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9852   -8.4954    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
 15 19  1  0  0  0  0
  1 20  1  0     0  0
 20 21  1  0     0  0
  2 22  1  0     0  0
 22 23  1  0     0  0
  8 24  1  0     0  0
 24 25  1  0     0  0
M  END
> <LM_ID>
LMPK12112874

> <COMMON_NAME>
Penduletin

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

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
YSXFFLGRZJWNFM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320462

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1550857

> <CITATION>
-

$$$$