LMPK12111723
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   12.1915    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1915    7.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0468    7.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9021    7.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9021    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0468    9.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7574    7.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6128    7.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6128    8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7574    9.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7574    6.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4678    9.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3396    8.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2113    9.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2113   10.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3396   10.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4678   10.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0468    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4678    7.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4317   10.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0468   10.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2345   10.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2345   11.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4234   12.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0458   12.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2345   12.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3363    9.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1478    7.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3276    6.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7014    7.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6103    9.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0695    9.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289    8.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3347    7.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4218    7.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    8.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    9.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8899    9.6491    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
  8 19  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  1 27  1  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 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  1     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
M  END
> <LM_ID>
LMPK12111723

> <COMMON_NAME>
Amurensin

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H30O12

> <MASS>
534.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UNHHWEHQUUGKEE-MLLLWRCASA-N

> <INCHI>
InChI=1S/C26H30O12/c1-26(2,35)8-7-13-15(36-25-22(34)20(32)18(30)16(10-27)37-25)9-14(29)17-19(31)21(33)23(38-24(13)17)11-3-5-12(28)6-4-11/h3-6,9,16,18,20,22,25,27-30,32-35H,7-8,10H2,1-2H3/t16-,18-,20+,22-,25-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186819

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318156

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$