LMPK12110971
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.3652  -10.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3652  -11.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2356  -11.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1060  -11.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1060  -10.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2356   -9.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9764  -11.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8466  -11.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8466  -10.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9764   -9.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9764  -12.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2356  -12.5175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9104   -9.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8276   -9.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7448   -9.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7448   -8.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8276   -7.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9104   -8.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6614   -7.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6863   -9.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527  -10.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6286   -8.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013   -6.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938   -5.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2356   -8.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3363   -8.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5249   -8.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6127   -7.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5089   -6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3204   -7.1636    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
 20 21  1  0  0  0  0
 30 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
 29 30  1  0     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
 29 24  1  1     0  0
 26  6  1  1     0  0
M  END
> <LM_ID>
LMPK12110971

> <COMMON_NAME>
Molludistin

> <SYSTEMATIC_NAME>
8-alpha-L-Arabinopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SENMWXPDXHHPBM-KZCJGOGDSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-28-15-7-12(24)16-11(23)6-14(9-2-4-10(22)5-3-9)30-20(16)17(15)21-19(27)18(26)13(25)8-29-21/h2-7,13,18-19,21-22,24-27H,8H2,1H3/t13-,18-,19+,21-/m0/s1

> <SMILES>
C1(OC)=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>
178336063

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3591

> <CITATION>
-

$$$$