LMPK12110605
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.5225    7.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5225    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    6.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9605    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9605    7.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    7.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    6.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3985    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3985    7.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    7.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1172    7.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8501    7.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5826    7.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5826    8.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8501    9.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1172    8.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1172    6.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2415    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    7.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    6.9077    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7328    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150    6.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8501    9.8528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    9.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9444    8.6436    0.0000 C   0  0  0  0  0  0  0  0  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
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  2  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 16 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110605

> <COMMON_NAME>
Velloquercetin 4'-methyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O7

> <MASS>
382.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NLTXDVGIENJDHL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O7/c1-9(2)14-7-11-15(27-14)8-16-17(18(11)23)19(24)20(25)21(28-16)10-4-5-13(26-3)12(22)6-10/h4-6,8,14,22-23,25H,1,7H2,2-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15126638

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$