LMPK12110269
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
   11.9421    8.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0398    9.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377    8.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377    7.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0398    7.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9421    7.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2354    9.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3333    8.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3333    7.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2354    7.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5179    9.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2354    6.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0416    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    9.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8314    8.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7336    9.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7336   10.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8314   11.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   10.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5104   10.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4356   10.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4357   12.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1665   13.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0357   10.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1676   10.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009   10.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3024   11.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1676   12.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0343   11.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3550   15.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1752   16.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8014   14.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924   13.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0739   13.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1681   14.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0810   15.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8940   14.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7997   13.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6128   13.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  2  0  0  0  0
  1 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 29 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 26 21  1  6     0  0
 27 22  1  1     0  0
 28 23  1  1     0  0
 38 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  0     0  0
 37 38  1  0     0  0
 38 39  1  6     0  0
 34 23  1  1     0  0
 35 30  1  6     0  0
 36 31  1  6     0  0
 37 32  1  1     0  0
 25  7  1  1     0  0
M  END
> <LM_ID>
LMPK12110269

> <COMMON_NAME>
Isohemsleyanoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O13

> <MASS>
548.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JEOBVEQBMPYHAJ-KWYRVQHRSA-N

> <INCHI>
InChI=1S/C26H28O13/c1-9-19(31)21(33)23(35)26(37-9)39-16-8-36-25(22(34)20(16)32)18-13(29)6-12(28)17-14(30)7-15(38-24(17)18)10-2-4-11(27)5-3-10/h2-7,9,16,19-23,25-29,31-35H,8H2,1H3/t9-,16-,19-,20-,21+,22+,23+,25-,26-/m0/s1

> <SMILES>
C1(C2C=CC(O)=CC=2)=CC(=O)C2C(O)=CC(O)=C([C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)CO3)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257725

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$