LMPK12110196
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   10.2482    8.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    7.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1553    7.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0626    7.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0626    8.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1553    9.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    7.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8769    7.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8769    8.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    9.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    6.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7836    9.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7082    8.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6328    9.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6328   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7082   11.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7836   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5571   11.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1553    6.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3413    9.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2874    5.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    4.9489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8255    5.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    7.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4233    7.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4233    6.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    5.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6896    6.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6896    7.4507    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
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 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
 25  2  1  1     0  0
M  END
> <LM_ID>
LMPK12110196

> <COMMON_NAME>
Isomollupentin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O9

> <MASS>
402.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-C-Arabinosylapigenin

> <INCHI_KEY>
IWAWDKXYERYUIS-NQIVQMERSA-N

> <INCHI>
InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)16(18(15)26)20-19(27)17(25)12(24)7-28-20/h1-6,12,17,19-21,23-27H,7H2/t12-,17-,19+,20-/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154496332

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$