LMPK12110940
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.5793    8.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5793    7.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4265    7.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2738    7.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2738    8.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4265    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    7.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9682    7.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9682    8.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    9.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8149    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7128    8.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6106    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6106   10.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7128   10.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8149   10.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5077   10.8491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4265    6.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9178   10.8491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5077    8.7763    0.0000 O   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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110940

> <COMMON_NAME>
Isoetin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C15H10O7

> <MASS>
302.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DSNIERNBMAVNJI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O7/c16-6-1-11(20)15-12(21)5-13(22-14(15)2-6)7-3-9(18)10(19)4-8(7)17/h1-5,16-20H

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

> <KEGG_ID>
C10079

> <HMDB_ID>
HMDB0126017

> <CHEBI_ID>
6006

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281649

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56743

> <CITATION>
-

$$$$