LMPK12112927
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2228   -7.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228   -8.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981   -9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9733   -8.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9733   -7.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981   -7.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8486   -9.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7238   -8.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7238   -7.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8486   -7.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8486  -10.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5990   -7.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4908   -7.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3830   -7.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3830   -6.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4908   -5.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5990   -6.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981  -10.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4908   -4.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2662   -5.5488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476   -7.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476   -9.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5990   -9.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5305   -7.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4936   -8.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3497   -8.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6541   -4.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5333   -4.6984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0209   -6.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4515   -6.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6035   -8.0357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2040   -5.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8979   -5.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8395   -5.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0832   -6.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3893   -7.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6331   -7.9493    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
 16 19  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  8 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 32 20  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
M  END
> <LM_ID>
LMPK12112927

> <COMMON_NAME>
Chrysosplenoside D

> <SYSTEMATIC_NAME>
5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone 4'-glucoside

> <FORMULA>
C24H26O13

> <MASS>
522.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JWGIHWFWFBQYMA-NPVWYNPDSA-N

> <INCHI>
InChI=1S/C24H26O13/c1-32-13-7-12-15(17(28)22(13)33-2)18(29)23(34-3)21(35-12)9-4-5-11(10(26)6-9)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9914699

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 23242

> <CITATION>
-

$$$$