LMPK12113213
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
   13.0699    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0698    7.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    7.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7662    7.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7662    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    9.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6144    7.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    7.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    8.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6144    9.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6144    6.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3270    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1915    8.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0560    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0560   10.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1915   10.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3270   10.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    6.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9205   10.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2054    9.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3270    7.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181   10.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1915   11.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8256   12.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1907    7.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898    6.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6091    7.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118    9.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8298    8.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3078    8.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3004    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3971    7.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5068    7.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5142    8.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    9.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8581    8.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    8.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6801    9.9729    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
  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
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  0  0  0
  6 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 20  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 29 36  1  0     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
M  END
> <LM_ID>
LMPK12113213

> <COMMON_NAME>
Haploside A

> <SYSTEMATIC_NAME>
3,5,7,8,4'-Pentahydroxy-3'-methoxyflavon 7- (6"-acetylglucoside)

> <FORMULA>
C24H24O14

> <MASS>
536.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JEXCKOGBYYLXKD-VZRBYOQMSA-N

> <INCHI>
InChI=1S/C24H24O14/c1-8(25)35-7-14-16(28)19(31)21(33)24(37-14)36-13-6-11(27)15-18(30)20(32)22(38-23(15)17(13)29)9-3-4-10(26)12(5-9)34-2/h3-6,14,16,19,21,24,26-29,31-33H,7H2,1-2H3/t14-,16-,19+,21-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13800329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 266078

> <CITATION>
-

$$$$