LMPK12010417
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.6708    8.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6708    7.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4223    7.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4223    8.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2980    7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1738    7.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1738    8.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2980    9.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9420    8.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8345    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8345   10.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9420   10.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494   10.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7103   10.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0494    7.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    9.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9420   11.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6154   12.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.6702    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010417

> <COMMON_NAME>
Rosinidin

> <SYSTEMATIC_NAME>
3,5,4'-Trihydroxy-7,3'-dimethoxyflavylium

> <FORMULA>
C17H15O6

> <MASS>
315.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GNONHFYAESLOCB-UHFFFAOYSA-O

> <INCHI>
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1

> <SMILES>
C1(OC)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O)=CC=2C(O)=C1

> <KEGG_ID>
C08729

> <HMDB_ID>
-

> <CHEBI_ID>
8893

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4335

> <CITATION>
-

$$$$