LMPK12150001
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.1434    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    8.7125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0013    9.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2868    9.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434   12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289   12.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144   12.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   12.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8592   11.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8592    9.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    9.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    8.3000    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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 15  1  0  0  0  0
 14 23  2  0  0  0  0
 23 24  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 14  1  0  0  0  0
 17 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 17  1  0  0  0  0
 30 33  1  0  0  0  0
 25 34  1  0  0  0  0
 20 35  1  0  0  0  0
 19 36  1  0  0  0  0
  1 37  1  0  0  0  0
  8 38  1  0  0  0  0
M  END
> <LM_ID>
LMPK12150001

> <COMMON_NAME>
Gericudranins A

> <SYSTEMATIC_NAME>


> <FORMULA>
C29H24O9

> <MASS>
516.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Dihydroflavonols [PK1215]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6,8-di-p-hydroxybenzyltaxifolin

> <INCHI_KEY>
NSDIRDXLZWLHAL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C29H24O9/c30-17-6-1-14(2-7-17)11-19-24(34)20(12-15-3-8-18(31)9-4-15)29-23(25(19)35)26(36)27(37)28(38-29)16-5-10-21(32)22(33)13-16/h1-10,13,27-28,30-35,37H,11-12H2

> <SMILES>
C1(O)=C(CC2C=CC(O)=CC=2)C2OC(C3C=CC(O)=C(O)C=3)C(O)C(=O)C=2C(O)=C1CC1C=CC(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10436583

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
210328

> <CITATION>
8588866

$$$$