LMPK12111502
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.3307    6.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3284    6.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    5.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    6.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9756    7.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2586    5.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9036    6.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9059    6.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2631    7.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2562    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5509    7.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2057    6.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8631    7.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8656    7.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106    8.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5533    7.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    5.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4185    8.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1516    9.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    7.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    8.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    7.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9372    6.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5928    6.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7303    7.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    8.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4542    6.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3059    5.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  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
  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
  3 18  1  0  0  0  0
  2 25  1  0  0  0  0
  1 27  1  0  0  0  0
 14 29  1  0  0  0  0
 17 19  1  0  0  0  0
  6 21  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111502

> <COMMON_NAME>
Agehoustin E

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEZNCEOIPZBRTB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O9/c1-24-12-9-15(26-3)14(25-2)7-10(12)13-8-11(22)16-17(23)19(27-4)21(29-6)20(28-5)18(16)30-13/h7-9,23H,1-6H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C(OC)=CC(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13939319

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$