LMPK12110002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.3439    8.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    7.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659    6.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1879    7.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1879    8.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659    8.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1099    6.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0319    7.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0319    8.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1099    8.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9472    9.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9472    8.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8347    8.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7221    8.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7221    9.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8347   10.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    8.7184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659    5.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7303    6.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4643   10.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1099    5.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8347   11.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6858   11.8423    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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
 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
  9 12  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 15 20  1  0  0  0  0
  7 21  2  0  0  0  0
 16 22  1  0     0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMPK12110002

> <COMMON_NAME>
Isorhamnetin

> <SYSTEMATIC_NAME>
3,4',5,7-Tetrahydroxy-3'-methoxyflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-methylquercetin

> <INCHI_KEY>
IZQSVPBOUDKVDZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

> <SMILES>
C1(O)C=C2OC(C3=CC=C(O)C(OC)=C3)=C(O)C(=O)C2=C(O)C=1

> <KEGG_ID>
C10084

> <HMDB_ID>
HMDB0002655

> <CHEBI_ID>
6052

> <ABBREVIATION>
-

> <CAYMAN_ID>
16496

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281654

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3311

> <CITATION>
22761636

$$$$