LMPK12010441
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.6035    9.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6035    8.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4936    7.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    8.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    9.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4936    9.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2740    7.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1639    8.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1639    9.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2740    9.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4936    6.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8325    9.7429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9937    9.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8839    9.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7740    9.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7740   10.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8839   11.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9937   10.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5641   11.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566    6.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3390   10.8396    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
 19 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010441

> <COMMON_NAME>
Carajurin

> <SYSTEMATIC_NAME>
6,7-Dihydroxy-5,4'-dimethoxy-flavylium

> <FORMULA>
C17H17O5

> <MASS>
301.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XPZAWRNPMRAKDD-UHFFFAOYSA-O

> <INCHI>
InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)14-8-7-12-15(22-14)9-13(18)16(19)17(12)21-2/h3-9,12-13,18H,1-2H3/p+1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186826

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257040

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 83934

> <CITATION>
-

$$$$