LMPK12010440
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    6.9201    8.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9201    7.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7797    7.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6394    7.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6394    8.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7797    9.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4990    7.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3587    7.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3587    8.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4990    9.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2181    9.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942    8.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    9.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704   10.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942   10.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2181   10.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8462   10.5554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7797    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942   11.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8462    8.5322    0.0000 O   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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010440

> <COMMON_NAME>
Tricetinidin

> <SYSTEMATIC_NAME>
5,7,3',4',5'-Pentahydroxyflavylium

> <FORMULA>
C15H11O6

> <MASS>
287.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CMPNIWQMRYYTMK-UHFFFAOYSA-O

> <INCHI>
InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034043

> <CHEBI_ID>
179145

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11199650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4442

> <CITATION>
-

$$$$