LMPK12060052
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    6.8776   10.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776    9.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6943    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5111    9.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5111   10.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6943   11.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3279    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1447    9.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1447   10.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3279   11.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9612    9.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9612    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345    7.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7076    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7076    9.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345    9.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3279    8.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8742   10.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9614   11.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1447    8.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9614   11.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6943    8.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5246    7.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7961    8.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345    6.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8835    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.4766    0.0000 C   0  0  0  0  0  0  0  0  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
  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  8 20  1  0  0  0  0
 19 21  1  0  0  0  0
  3 22  1  0  0  0  0
 14 23  1  0  0  0  0
 13 25  1  0  0  0  0
  1 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060052

> <COMMON_NAME>
Clitoriacetal

> <SYSTEMATIC_NAME>
6a,12a-Dihydro-6,11,12a-trihydroxy-2,3,9-trimethoxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one

> <FORMULA>
C19H18O9

> <MASS>
390.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CJIMGNHPOXRALG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O9/c1-24-8-4-10(20)15-14(5-8)27-17-18(22)28-11-7-13(26-3)12(25-2)6-9(11)19(17,23)16(15)21/h4-7,17-18,20,22-23H,1-3H3

> <SMILES>
C1(OC)=CC2OC3C(O)OC4=C(C=C(OC)C(OC)=C4)C3(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196369

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257416

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43365

> <CITATION>
-

$$$$