LMPK12110197
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    7.6406    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6406    7.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5491    7.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574    7.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5491    9.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3657    7.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    7.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3657    9.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3657    6.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821    9.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1079    8.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339    9.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339   10.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1079   11.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1821   10.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9593   11.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5491    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8106   10.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107   12.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5415   13.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4107   11.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426   10.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6759   11.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6774   12.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426   12.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4093   12.1294    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  6  1  6     0  0
M  END
> <LM_ID>
LMPK12110197

> <COMMON_NAME>
Mollupentin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O9

> <MASS>
402.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Apigenin-8-C-alpha-L-arabinopyranoside

> <INCHI_KEY>
YCCJEBDPVUMZGE-RDOJZNBBSA-N

> <INCHI>
InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)14-6-12(24)15-10(22)5-11(23)16(19(15)29-14)20-18(27)17(26)13(25)7-28-20/h1-6,13,17-18,20-23,25-27H,7H2/t13-,17-,18+,20+/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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257653

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$