LMPK12050478
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.0277    9.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0277    8.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9132    7.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985    8.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985    9.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9132    9.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    7.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5694    8.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5694    9.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    9.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    7.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9132    6.8334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1425    9.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5602    6.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4017    6.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2434    6.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2434    7.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4017    8.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5602    7.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0849    6.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7188    6.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8118    6.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0058    5.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3787    6.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2661    8.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7396    8.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0851    7.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    6.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0925    6.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790    7.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    8.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5523    8.6488    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  1  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
  1 13  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 19  8  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  2  1  1     0  0
M  END
> <LM_ID>
LMPK12050478

> <COMMON_NAME>
Macrocarposide

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O11

> <MASS>
450.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CGRZFWSCUINYCK-FSXLRKKZSA-N

> <INCHI>
InChI=1S/C21H22O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)9(6-31-12)8-2-1-7(23)3-10(8)24/h1-4,9,13,17,19-25,27-30H,5-6H2/t9?,13-,17-,19+,20-,21+/m1/s1

> <SMILES>
C1(O)=CC2OCC(C3C(O)=CC(O)=CC=3)C(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257385

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 108278

> <CITATION>
-

$$$$