LMPK12080024
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.7334   -4.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334   -5.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -5.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -4.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -4.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2291   -6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611   -5.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611   -4.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2291   -4.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8930   -6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8930   -7.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6645   -7.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4360   -7.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4360   -6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6645   -5.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9015   -4.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6645   -8.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611   -6.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2678   -7.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611   -7.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2677   -8.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0610   -8.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  1  0  0  0
 14 20  1  0  0  0  0
 12 21  1  0  0  0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK12080024

> <COMMON_NAME>
(-)-Mucronulatol

> <SYSTEMATIC_NAME>
[S,(-)]-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-2H-1-benzopyran-7-ol

> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NUNFZNIXYWTZMW-LLVKDONJSA-N

> <INCHI>
InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1

> <SMILES>
C1(O)=CC2OC[C@]([H])(C3=CC=C(OC)C(O)=C3OC)CC=2C=C1

> <KEGG_ID>
C10507

> <HMDB_ID>
-

> <CHEBI_ID>
7014

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442811

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53897

> <CITATION>
-

$$$$