LMPK12080024
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2407    8.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2407    8.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6133    8.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6133    8.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    9.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    8.1463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9860    8.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    9.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6723    7.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6723    7.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3088    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9453    7.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9453    7.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3088    8.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3088    5.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    7.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6315    6.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6315    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    6.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  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 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080024

> <COMMON_NAME>
(-)-Mucronulatol

> <SYSTEMATIC_NAME>


> <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

> <CITATION>
-

$$$$