LMPK12130032
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
   11.7051    9.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7051   10.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8385   10.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9719   10.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9719    9.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8385    8.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6566    9.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2447    9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6566   10.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1054   10.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9819    9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4572    9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9583    9.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9604    9.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4615    9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9604   10.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9583   10.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4620    9.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8974    8.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4608   11.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8384    7.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3140    6.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4034    5.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    6.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1899    8.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6517    8.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8856    7.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6235    6.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655    6.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    7.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372    8.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    8.8377    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
  6 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 21  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>
LMPK12130032

> <COMMON_NAME>
Cernuoside

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

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZZERRGHHDDWLEN-CMWLGVBASA-N

> <INCHI>
InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-13-6-9(23)5-12-16(13)17(26)14(30-12)4-8-1-2-10(24)11(25)3-8/h1-6,15,18-25,27-29H,7H2/t15-,18-,19+,20-,21-/m1/s1

> <SMILES>
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O)C=C2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607764

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 205042

> <CITATION>
-

$$$$