LMPK12010442
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5992    9.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5992    8.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    7.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3703    8.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3703    9.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    9.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2560    7.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1415    8.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1415    9.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2560    9.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    6.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8321    9.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9670    9.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8526    9.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382    9.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382   10.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8526   11.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9670   10.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5241   11.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7516    6.3032    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  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  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
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  9 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010442

> <COMMON_NAME>
Carajuron

> <SYSTEMATIC_NAME>
6,7,4'-Trihydroxy-5-methoxy-flavylium

> <FORMULA>
C16H15O5

> <MASS>
287.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZQBQYJKZPOPIES-UHFFFAOYSA-O

> <INCHI>
InChI=1S/C16H14O5/c1-20-16-11-6-7-13(9-2-4-10(17)5-3-9)21-14(11)8-12(18)15(16)19/h2-8,11-12,18H,1H3,(H-,17,19)/p+1

> <SMILES>
C1(O)C=C2[O+]=C(C3C=CC(O)=CC=3)C=CC2C(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184499

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257041

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 353936

> <CITATION>
-

$$$$