LMPK12010132
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.4204   -1.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4204   -2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3428   -3.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2651   -2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2651   -1.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3428   -1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -3.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1098   -2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1098   -1.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -1.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0316   -1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9717   -1.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9116   -1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9116   -0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9717    0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0316   -0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4985   -1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8514    0.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3428   -4.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8926   -3.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9717    1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8613   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324   -5.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2361   -6.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5796   -4.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2287   -4.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2130   -4.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5481   -5.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9001   -5.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9158   -5.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2676   -6.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2719   -6.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6942   -7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6983   -7.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1121   -8.1051    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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 30 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 20  1  1     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
 29 24  1  6     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  2  0     0  0
 33 35  1  0     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010132

> <COMMON_NAME>
Cyanidin 3-(6''-acetylglucoside)

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxyflavylium 3-(6"-acetylglucoside)

> <FORMULA>
C23H23O12

> <MASS>
491.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBXXDBKJLPLXPR-ZFVIQDPVSA-O

> <INCHI>
InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19-,20+,21-,23-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
131449

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15714477

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 58847

> <CITATION>
-

$$$$