LMPK12070034
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0     0  0            999 V2000
    6.6116    9.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4365    9.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4365    8.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2613    7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0916    8.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0916    9.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    8.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2613    9.5477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    7.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614    6.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9165    7.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7697    7.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3430    7.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7697    6.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9975    8.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8421    7.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8421    6.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9975    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1531    6.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1531    7.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3924    6.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6514    7.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7994    8.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    9.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2699    9.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2699    8.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    7.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5031    8.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5031    9.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6514    9.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7990    9.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9469    9.5571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8956    7.2261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8859    8.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6 32  1  1     0  0
  3  9  1  1     0  0
  4 10  1  1     0  0
  5 11  1  6     0  0
  2  1  1  1     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  8  6  1  0     0  0
  2  8  1  0     0  0
  7  1  1  0     0  0
 12 16  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 17 14  1  0  0  0  0
 19 21  1  0  0  0  0
 15 20  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 22 28  1  0  0  0  0
 23 22  2  0  0  0  0
 31 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 27 33  1  6     0  0
 26 34  1  6     0  0
M  END
> <LM_ID>
LMPK12070034

> <COMMON_NAME>
Maackiain 3-O-galactoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VGSYCWGXBYZLLE-JOCCAYSWSA-N

> <INCHI>
InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18-,19-,20+,21-,22+/m0/s1

> <SMILES>
C(O)[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)OC1=CC2=C([C@@]3([H])[C@@]([H])(CO2)C2=C(C=C4C(=C2)OCO4)O3)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257442

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$