LMPK12112774
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.4409    8.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1985    8.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196    9.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0772    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9559    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9559    8.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0772    9.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0772    6.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345    9.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7299    8.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6256    9.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6256   10.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7299   10.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345   10.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196    6.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3875   10.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5623    9.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5209    8.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7299   11.6796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345    7.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7132    7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0242    9.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8527    9.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1747    7.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5979    7.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4336    8.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1851    9.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1012    8.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2621    7.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5105    7.0864    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
  1 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 33 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  0     0  0
 32 33  1  0     0  0
 29 21  1  1     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
 32 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112774

> <COMMON_NAME>
Annulatin 3'-xyloside

> <SYSTEMATIC_NAME>
5,7,3',4',5'-Pentahydroxy-3-methoxyflavone 3'-xyloside

> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QCMDBALWJYMZBK-KQRRRXHLSA-N

> <INCHI>
InChI=1S/C21H20O12/c1-30-20-17(28)14-9(23)4-8(22)5-12(14)32-19(20)7-2-10(24)15(26)13(3-7)33-21-18(29)16(27)11(25)6-31-21/h2-5,11,16,18,21-27,29H,6H2,1H3/t11-,16+,18-,21+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)C=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163029051

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56888

> <CITATION>
-

$$$$