LMPK12100066
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3332    9.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578    9.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821    9.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821    8.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065    7.7493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2308    8.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9550    7.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3332    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578    7.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065    6.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862    6.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7862    5.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2266    5.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2266    6.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    7.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2308    7.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9509    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    9.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065    9.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1307    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.1013    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  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  8 16  1  0  0  0  0
  5 17  1  6  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100066

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

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QPMNRZAZYQAWCN-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-4-13(11-6-5-7-12(18)8-11)14-9-15(19)17(21-3)10-16(14)20-2/h4-10,13,18-19H,1H2,2-3H3/t13-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257554

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$