LMPK12130005
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.3468    7.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3468    8.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4786    8.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6104    8.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6104    7.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4786    6.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3001    7.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8892    7.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3001    8.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7422    8.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6279    7.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1058    7.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6079    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6118    7.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1139    7.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6118    8.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6079    8.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1166    7.9631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5414    6.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1132    9.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0175    6.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3259    7.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0383    8.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    8.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8895    8.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8825    7.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0244    7.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1787    7.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857    8.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3399    8.9896    0.0000 C   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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 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
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 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  1     0  0
 26 10  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12130005

> <COMMON_NAME>
Sulfurein

> <SYSTEMATIC_NAME>
2-[(3,4-Dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-3(2H)-benzofuranone

> <FORMULA>
C21H20O10

> <MASS>
432.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MEHCTOVFPFJFEW-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607741

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 459758

> <CITATION>
-

$$$$