LMPK12110185
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.9246    8.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9246    9.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0045    9.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0045    7.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8448    7.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7650    8.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7650    9.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8447    9.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9612   10.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8815    9.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8016   10.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8016   11.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8815   11.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9612   11.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8448    6.9337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0842    8.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0842    9.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0045    6.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0842    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7835   10.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7268   11.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5970   11.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5758   12.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9121   12.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3966   12.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5970   13.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6770   14.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6770   13.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779   13.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4063   11.6109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4833   11.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093   11.1872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921   11.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921   12.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 32  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 26  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 20 31  1  6  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110185

> <COMMON_NAME>
Polystachin

> <SYSTEMATIC_NAME>
(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one

> <FORMULA>
C26H26O8

> <MASS>
466.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOELSRBWPWTRTK-SMFUYQKNSA-N

> <INCHI>
InChI=1S/C26H26O8/c1-14(27)32-25(26(3,4)34-15(2)28)17-13-31-21-12-20(30-5)23-18(29)11-19(33-24(23)22(17)21)16-9-7-6-8-10-16/h6-12,17,25H,13H2,1-5H3/t17-,25?/m1/s1

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@]([H])(C(C(C)(OC(C)=O)C)OC(C)=O)COC=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257645

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$