LMPK12100071
  LIPID_MAPS_STRUCTURE_DATABASE

 24 25  0  0  0  0  0  0  0  0999 V2000
   10.3264   -5.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2075   -4.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0883   -5.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0883   -6.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9692   -6.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -6.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7309   -6.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3264   -6.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2075   -6.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9692   -7.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0933   -8.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0933   -9.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9692   -9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8450   -9.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8450   -8.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4455   -6.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500   -7.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9692  -10.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4455   -4.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2075   -3.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9692   -4.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586   -5.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077   -3.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673   -5.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  1  8  1  0     0  0
  8  9  2  0     0  0
  9  4  1  0     0  0
  5 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
  8 16  1  0     0  0
  5 17  1  1     0  0
 13 18  1  0     0  0
  1 19  1  0     0  0
  2 20  1  0     0  0
  3 21  1  0     0  0
 19 22  1  0     0  0
 20 23  1  0     0  0
 21 24  1  0     0  0
M  END
> <LM_ID>
LMPK12100071

> <COMMON_NAME>
Kuhlmanniquinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H20O5

> <MASS>
316.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol

> <INCHI_KEY>
YMGWJOIJYYZHCV-CYBMUJFWSA-N

> <INCHI>
InChI=1S/C18H20O5/c1-5-13(11-6-8-12(19)9-7-11)14-10-15(20)17(22-3)18(23-4)16(14)21-2/h5-10,13,19-20H,1H2,2-4H3/t13-/m1/s1

> <SMILES>
C1(OC)C(O)=CC([C@@]([H])(C2C=CC(O)=CC=2)C=C)=C(OC)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257557

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53897

> <CITATION>
-

$$$$