LMPK12010089
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    7.6477    8.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6477    7.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4985    7.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3492    7.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3492    8.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4985    9.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1998    7.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0504    7.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0504    8.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1998    9.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9008    9.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7676    8.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6347    9.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6347   10.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7676   10.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9008   10.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5014   10.8693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7975    9.3679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4985    6.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0120    7.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0606    6.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7517    5.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4538    3.5151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7666    5.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    6.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4116    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7568    5.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1078    4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1128    4.6374    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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 29 24  1  0     0  0
 24 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
 26 21  1  6     0  0
 27 22  1  1     0  0
 28 23  1  1     0  0
 25 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010089

> <COMMON_NAME>
Pelargonidin 3-arabinoside

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxyflavylium 3-arabinoside

> <FORMULA>
C20H19O9

> <MASS>
403.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LEJPLPFWLUXHCB-DEYWJSPQSA-O

> <INCHI>
InChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17-,18+,20-/m0/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178335794

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 300533

> <CITATION>
-

$$$$