LMPK12112587
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.2198    7.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198    6.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438    5.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6679    6.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6679    7.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438    7.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3919    5.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1159    6.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1159    7.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3919    7.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3919    5.1839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8397    7.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777    7.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156    7.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156    8.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5777    8.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8397    8.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8706    5.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0533    8.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438    8.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200    8.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200    9.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438   10.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4963   10.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6418    7.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0532    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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112587

> <COMMON_NAME>
Isoanhydroicaritin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RJANATGWWPNKAL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-11(2)4-9-14-16(26-3)10-15(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3

> <SMILES>
C1(OC)=C(C/C=C(/C)\C)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5322079

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$