LMPK12020012
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.0962    6.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628    6.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6294    6.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6294    5.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0962    5.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    6.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    6.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    5.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8296    6.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8296    7.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0962    7.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628    7.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5629    6.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2964    6.6938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2964    7.5406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5629    7.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0797    7.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7764    7.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4731    7.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4731    8.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7764    9.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0797    8.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0908    9.1540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9461    6.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    7.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    8.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7764    9.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5137   10.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
  9 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  2  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 18 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 24 30  1  0  0  0  0
 23 26  1  0  0  0  0
 17 27  1  1  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020012

> <COMMON_NAME>
Shanciol

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KKBKTGYRMZXDKM-NBGIEHNGSA-N

> <INCHI>
InChI=1S/C25H24O6/c1-29-22-10-14(4-8-19(22)27)25-20(28)11-18-17-6-3-13-9-15(26)5-7-16(13)24(17)23(30-2)12-21(18)31-25/h4-5,7-10,12,20,25-28H,3,6,11H2,1-2H3/t20-,25+/m0/s1

> <SMILES>
C12C3C[C@H](O)[C@@H](C4C=C(OC)C(O)=CC=4)OC=3C=C(OC)C=1C1=CC=C(O)C=C1CC2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178577

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257051

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$