LMPK12110279
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    5.8550   -7.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131   -8.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5713   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5713   -7.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131   -6.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295   -8.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877   -7.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295   -6.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295   -9.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970   -6.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131   -9.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410   -6.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454   -7.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0498   -6.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0498   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1454   -4.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9534   -4.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965   -5.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7273   -2.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5967   -5.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2815   -2.6137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7286   -5.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8620   -5.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634   -4.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5953   -4.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4606   -3.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0441   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8651   -0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9856   -2.3036    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
  7 11  2  0  0  0  0
  1 12  1  0  0  0  0
  3 13  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 14  9  1  0  0  0  0
 17 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
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 26  6  1  1     0  0
 25 32  1  0     0  0
 32 33  1  0     0  0
 32 34  2  0     0  0
M  END
> <LM_ID>
LMPK12110279

> <COMMON_NAME>
Vitexin 6''-O-acetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H22O11

> <MASS>
474.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Psilosin

> <INCHI_KEY>
PKDCJXSRTGTJRC-CKSGFJDPSA-N

> <INCHI>
InChI=1S/C23H22O11/c1-9(24)32-8-16-19(29)20(30)21(31)23(34-16)18-13(27)6-12(26)17-14(28)7-15(33-22(17)18)10-2-4-11(25)5-3-10/h2-7,16,19-21,23,25-27,29-31H,8H2,1H3/t16-,19-,20+,21-,23+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154497679

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$