LMPK12010356
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    7.6806   10.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6806    9.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    8.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5775    9.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5775   10.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291   10.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5260    8.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4743    9.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4743   10.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5260   10.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4226   10.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3890   10.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3557   10.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3557   12.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3890   12.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4226   12.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0577   12.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    7.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875    8.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3220   10.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3890   13.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0953   13.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1825    8.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3189    7.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4599    5.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3264    7.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1712    4.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555    7.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530    8.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3215    7.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8919    6.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8945    6.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4650    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9108    3.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167    2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9444    3.3787    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
  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
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 29 20  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 28 35  1  0     0  0
 35 36  1  0     0  0
 35 37  2  0     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010356

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Petunidin 3-(6''-acetylglucoside)

> <FORMULA>
C24H25O13

> <MASS>
521.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GPUBWXUQPURXOQ-BKSKZGTRSA-O

> <INCHI>
InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18-,20-,21+,22-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101922116

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$