LMPK12113364
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.1013    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    8.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9080    7.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7147    8.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7147    8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9080    9.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5216    7.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3281    8.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3280    8.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212    9.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5216    6.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1347    9.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9569    8.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7790    9.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7789   10.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9567   10.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1347   10.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1348    7.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9080    6.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9567   11.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2948    7.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2948    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9080   10.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1638   11.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5856   10.8353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6217   10.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5858    8.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8416    9.6795    0.0000 C   0  0  0  0  0  0  0  0  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
  2 21  1  0  0  0  0
  6 23  1  0  0  0  0
  1 25  1  0  0  0  0
 15 27  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113364

> <COMMON_NAME>
3-Demethyldigicitrin

> <SYSTEMATIC_NAME>
3,5,3'-Trihydroxy-6,7,8,4',5'-pentamethoxyflavone

> <FORMULA>
C20H20O10

> <MASS>
420.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SBECGZQEVBSJHM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-14(24)12(22)11-13(23)18(27-3)20(29-5)19(28-4)17(11)30-15/h6-7,21,23-24H,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260075

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1226108

> <CITATION>
7964782

$$$$