LMPK12100070
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.7430    9.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6193    9.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955    9.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955    8.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3716    7.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955    7.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3716    9.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7430    8.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6193    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2476    8.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2475    9.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1188    9.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9898    9.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9898    8.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1188    7.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668    7.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2476    7.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6193   10.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668    9.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3465   11.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.1734    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  2  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
  5 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100070

> <COMMON_NAME>
(R)-2,5-Dihydroxy-3,4-dimethoxydalbergiquinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(R)-3,4Dimethoxydalbergionequinol

> <INCHI_KEY>
SGTZMKGDJCXTBM-GFCCVEGCSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12,18-19H,1H2,2-3H3/t12-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257556

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 225113

> <CITATION>
-

$$$$