LMPK12100068
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.3157   -4.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881   -4.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0601   -4.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0601   -6.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323   -6.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8046   -6.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6770   -6.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3157   -5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881   -6.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323   -7.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0652   -8.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0652   -9.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323   -9.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7994   -9.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7994   -8.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434   -6.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8046   -7.0414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434   -4.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323   -4.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7991   -4.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6877   -4.9227    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
  1 18  1  0     0  0
  3 19  1  0     0  0
 19 20  1  0     0  0
 18 21  1  0     0  0
M  END
> <LM_ID>
LMPK12100068

> <COMMON_NAME>
(R)-5-Hydroxy-2,4-dimethoxydalbergiquinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O3

> <MASS>
270.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SLLCQEPKLKMZKP-CYBMUJFWSA-N

> <INCHI>
InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197083

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11687648

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1353466

> <CITATION>
-

$$$$