LMPK12113045
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0  0  0  0  0  0  0  0999 V2000
    7.7718    8.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7718    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6573    7.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5426    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5426    8.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6573    9.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4280    7.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3134    7.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3134    8.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4280    9.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4280    6.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    9.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1012    8.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0035    9.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0035   10.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1012   10.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988   10.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6573    6.3204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2998   10.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8890   10.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8866    9.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8866    7.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8888    8.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1005    8.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0223    7.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8811    7.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6270    9.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5947   10.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5704    9.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8549   10.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715   12.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4490   12.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6672   14.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4434   11.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5788   10.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7195   11.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7279   12.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5925   12.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6009   13.9398    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 17  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
 14 23  1  0  0  0  0
  8 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 20 29  1  0  0  0  0
 34 40  1  0     0  0
 39 33  1  0     0  0
 33 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  1     0  0
 35 19  1  1     0  0
 36 30  1  6     0  0
 37 31  1  1     0  0
 38 32  1  6     0  0
M  END
> <LM_ID>
LMPK12113045

> <COMMON_NAME>
Chrysosplenoside H

> <SYSTEMATIC_NAME>
Brickellin 2'-glucoside

> <FORMULA>
C26H30O14

> <MASS>
566.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5,2'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 2'-glucoside

> <INCHI_KEY>
UNDQDHOUZGMIJZ-XOEPBZCXSA-N

> <INCHI>
InChI=1S/C26H30O14/c1-33-12-6-10(11(7-13(12)34-2)39-26-22(32)21(31)18(28)16(9-27)40-26)23-25(37-5)20(30)17-14(38-23)8-15(35-3)24(36-4)19(17)29/h6-8,16,18,21-22,26-29,31-32H,9H2,1-5H3/t16-,18-,21+,22-,26-/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC(OC)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10008104

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 61245

> <CITATION>
-

$$$$