LMPK12110740
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.1316    9.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1316    8.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9646    7.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7976    8.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7976    9.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9646    9.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6306    7.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4636    8.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4636    9.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6306    9.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6306    7.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9646    6.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4815    9.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3763    9.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2362    9.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2015   10.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3067   11.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4470   10.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0793   11.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988    9.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1139    9.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9916    9.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4915    8.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4941    6.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1946    6.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2951    8.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3924    7.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3938    6.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2948    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2962    5.2005    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
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 30 25  1  0     0  0
 25 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
 28 23  1  6     0  0
 29 24  1  6     0  0
 26  2  1  1     0  0
M  END
> <LM_ID>
LMPK12110740

> <COMMON_NAME>
Alternanthin

> <SYSTEMATIC_NAME>
6-(2,6-Dideoxy-beta-L-xylo-hexopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C22H22O9

> <MASS>
430.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZRNTZPKUNIPEAL-BTDFSWCZSA-N

> <INCHI>
InChI=1S/C22H22O9/c1-9-21(27)14(26)8-17(30-9)19-13(25)7-18-20(22(19)28)12(24)6-15(31-18)10-3-4-11(23)16(5-10)29-2/h3-7,9,14,17,21,23,25-28H,8H2,1-2H3/t9-,14+,17-,21-/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@@H]1C[C@@H](O)[C@@H](O)[C@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178336042

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 381410

> <CITATION>
-

$$$$