LMPK12110118
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.8987    8.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8987    7.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6121    7.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6121    8.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    9.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3256    7.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3256    8.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    9.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4689    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    9.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0720    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9451    9.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9451   10.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0720   10.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988   10.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259   10.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0256    9.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4156    9.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5856    9.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8593   10.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8759   12.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4698   12.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6767   14.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4641   11.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5940   10.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7293   11.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7378   12.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6079   12.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162   13.8790    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
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12110118

> <COMMON_NAME>
Echioidin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NCWUWWMZUSHZKJ-MIUGBVLSSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-29-10-6-12(24)18-13(25)8-15(30-16(18)7-10)11-4-2-3-5-14(11)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9496891

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$