LMPK12113045
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
    7.8211    8.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8211    7.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122    7.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6031    7.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6031    8.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122    9.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4941    7.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3851    7.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3851    8.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4941    9.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4941    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2761    9.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1842    8.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0922    9.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0922   10.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1842   11.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2761   10.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7122    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3714   11.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9834   11.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    9.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    7.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9832    8.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2761    7.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1392    8.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9627    7.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7260    9.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6935   10.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6311   10.0296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9047   11.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9214   13.0397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5152   12.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7221   14.3718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5096   11.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7748   11.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7832   12.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6533   13.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   14.0281    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

> <CITATION>
-

$$$$