LMPK12050312
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    8.7111   10.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7111    9.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5514    8.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914    9.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   10.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5514   10.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2318    8.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0718    9.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0718   10.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316   10.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9121    8.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9121    7.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8105    7.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7088    7.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7088    8.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8105    9.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2318    7.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5514    7.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8713   10.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8710    8.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308   10.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308    9.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5457   11.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5490    7.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5490    9.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6280    8.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0718    7.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0718    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 14 25  1  0  0  0  0
 12 28  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050312

> <COMMON_NAME>
Elongatin

> <SYSTEMATIC_NAME>
5-Hydroxy-7-(4-hydroxy-2,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b' ]dipyran-6-one

> <FORMULA>
C22H20O7

> <MASS>
396.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SHCMKWXVHLOSIU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O7/c1-22(2)6-5-11-16(29-22)9-18-19(20(11)24)21(25)13(10-28-18)12-7-17(27-4)14(23)8-15(12)26-3/h5-10,23-24H,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=C(OC)C(O)=CC=3OC)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14057021

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1954701

> <CITATION>
-

$$$$