LMPK12113136
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.1248    8.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    7.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    7.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    7.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    8.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    9.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7676    7.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6487    7.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6487    8.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7676    9.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7676    6.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5293    9.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4274    8.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3252    9.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3252   10.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4274   10.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5293   10.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    6.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2787   10.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3410    9.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6207    7.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057   10.2334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1356   10.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6468   12.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0268   13.9835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4521   11.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7606   11.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8256   11.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5818   12.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718   13.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2069   12.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9567   11.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222   12.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2010   11.0077    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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  6 22  1  0  0  0  0
 31 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  0     0  0
 27 22  1  1     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
 30 25  1  6     0  0
 24 32  1  0     0  0
 32 33  2  0     0  0
 32 34  1  0     0  0
M  END
> <LM_ID>
LMPK12113136

> <COMMON_NAME>
Herbacetin 8-(3''-acetylxyloside)

> <SYSTEMATIC_NAME>
3,5,7,8,4'-Pentahydroxyflavone 8-(3"-acetylxyloside)

> <FORMULA>
C22H20O12

> <MASS>
476.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GCVSUIXSUGPZMN-MPXRCLKFSA-N

> <INCHI>
InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3/t13-,17-,19+,22+/m1/s1

> <SMILES>
C1(O)=C(O[C@H]2[C@H](O)[C@@H](OC(C)=O)[C@H](O)CO2)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>
162909806

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 23029

> <CITATION>
-

$$$$