LMPK12020206
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.5957   10.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5957    9.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608    9.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3260    9.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3260   10.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608   11.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1912    9.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0563    9.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0563   10.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1912   11.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211   11.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8030   10.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6847   11.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6847   12.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8030   12.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211   12.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1912    8.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5664   12.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608    8.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7208    9.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8030   13.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5664   10.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7133    9.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463    7.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    5.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5574    7.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1375    8.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1337    8.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5501    7.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705    6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9743    6.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3948    5.7567    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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
  7 17  1  0  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  0  0  0  0
 15 22  1  0  0  0  0
 13 23  1  0  0  0  0
 32 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  0     0  0
 31 32  1  0     0  0
 32 33  1  6     0  0
 28 21  1  1     0  0
 29 24  1  6     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
M  END
> <LM_ID>
LMPK12020206

> <COMMON_NAME>
Leucodelphinidin 3-O-alpha-L-rhamnopyranoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H24O12

> <MASS>
468.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FSGNSYZESMMQHF-WWNVCBLISA-N

> <INCHI>
InChI=1S/C21H24O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,16-30H,1H3/t6-,14-,16?,17+,18+,19?,20?,21-/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156713

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$