LMPK12140245
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
   11.8368    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8368    7.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7440    7.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6512    7.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6512    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7440    9.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5583    7.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4655    7.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4655    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5583    9.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3724    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2968    8.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2215    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2215   10.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2968   10.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3724   10.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5583    6.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296    9.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1461   10.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7440    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4765   11.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9807   12.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837   11.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   12.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4040   11.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2829   11.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7224   12.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2829   13.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4040   13.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5992   12.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837   12.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    7.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608    6.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605    8.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2582    9.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9636    8.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978    7.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7265    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0265    8.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2923    9.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5922   10.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7708   11.1061    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  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  2  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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 24 31  1  0  0  0  0
 31 23  2  0  0  0  0
 40 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  1     0  0
 36 18  1  1     0  0
 37 32  1  6     0  0
 38 33  1  1     0  0
 39 34  1  6     0  0
 41 42  1  0     0  0
 42 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140245

> <COMMON_NAME>
Prunin 6''-p-coumarate

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H28O12

> <MASS>
580.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PLORCKNHUZJPKH-PTROEBSBSA-N

> <INCHI>
InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22?,24-,27-,28+,29-,30-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6451088

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$