LMPK12110244
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
   11.1037    8.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1037    7.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9868    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8697    7.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8697    8.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9868    9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7528    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6359    7.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6359    8.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7528    9.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7545    6.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9868    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7149    9.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6453    9.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5759    9.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5759   10.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6453   11.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7149   10.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5058   11.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954    9.4336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873    5.8747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3538    4.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256    5.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536    7.8761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627    7.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    7.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    6.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3536    5.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    6.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    7.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256    7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3787   10.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5532   12.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3642   13.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0125   10.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1038   10.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2841   10.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3730   11.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2784   12.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0981   11.7736    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
  3 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 40 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  0     0  0
 37 32  1  6     0  0
 38 33  1  1     0  0
 39 34  1  1     0  0
 26  2  1  1     0  0
 36  6  1  6     0  0
M  END
> <LM_ID>
LMPK12110244

> <COMMON_NAME>
Neoschaftoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O14

> <MASS>
564.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MMDUKUSNQNWVET-LQYCTPBQSA-N

> <INCHI>
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25+,26-/m0/s1

> <SMILES>
C1(O)=C([C@@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
C10110

> <HMDB_ID>
-

> <CHEBI_ID>
7513

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442619

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$