LMPK12111977
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.5893    7.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893    6.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2137    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384    6.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384    7.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2137    7.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4630    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875    6.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0875    7.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4630    7.5148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8018    7.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2137    8.3397    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6424    9.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593   10.0076    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9464    9.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1658    8.4498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5238   10.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3442   10.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9280    7.9272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8749    7.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5161    7.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2306    7.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2306    8.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5161    8.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8018    8.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9449    8.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2137    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4630    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8018    6.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
  1 21  1  0  0  0  0
 11 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 11  1  0  0  0  0
 24 27  1  0  0  0  0
  3 28  1  0  0  0  0
  7 29  2  0  0  0  0
  8 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111977

> <COMMON_NAME>
Lilaline

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H17NO7

> <MASS>
383.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YDCRQLJCXBNURP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H17NO7/c1-8-6-11(21-20(8)27)14-12(23)7-13(24)15-16(25)17(26)18(28-19(14)15)9-2-4-10(22)5-3-9/h2-5,7-8,11,22-24,26H,6H2,1H3,(H,21,27)

> <SMILES>
C1(O)C(C2([H])NC(=O)C(C)([H])C2)=C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C2=C(O)C=1

> <KEGG_ID>
C10602

> <HMDB_ID>
-

> <CHEBI_ID>
6461

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281826

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$