LMPK12010091
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    7.7097   11.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7097   10.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5327   10.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3557   10.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3557   11.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5327   12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1789   10.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0021   10.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0021   11.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1789   12.3534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247   12.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6636   11.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5025   12.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5025   13.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6636   13.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247   13.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3411   13.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869   12.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5327    9.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    9.7475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9401    8.7114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9255    6.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    5.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2768    8.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1685    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0513    8.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0427    7.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1538    6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2711    7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3822    6.6935    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
 29 30  1  6     0  0
 25 20  1  1     0  0
 26 21  1  6     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010091

> <COMMON_NAME>
Pelargonidin 3-rhamnoside

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

> <FORMULA>
C21H21O9

> <MASS>
417.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RFOBAKWGJRIIMU-DLQXMICZSA-O

> <INCHI>
InChI=1S/C21H20O9/c1-9-17(25)18(26)19(27)21(28-9)30-16-8-13-14(24)6-12(23)7-15(13)29-20(16)10-2-4-11(22)5-3-10/h2-9,17-19,21,25-27H,1H3,(H2-,22,23,24)/p+1/t9-,17-,18+,19+,21-/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)[C@H](C)O3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11464207

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 122308

> <CITATION>
-

$$$$