LMPK12070014
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    7.7152   12.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7152   11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   11.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3867   11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3867   12.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   13.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226   11.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583   11.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583   12.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226   13.0645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8938   11.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8938   10.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7874    9.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6811   10.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6811   11.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7874   11.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2314   10.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5737    9.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794   13.0645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7874    8.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6783    8.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6783    7.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7891    6.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5675    6.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5507    8.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6286   10.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6366   11.9233    0.0000 H   0  0  0  0  0  0  0  0  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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  1  0  0  0
  7 26  1  6     0  0
  8 27  1  6     0  0
M  END
> <LM_ID>
LMPK12070014

> <COMMON_NAME>
Dolichin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O5

> <MASS>
340.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LRCYZCCKRIVTHN-VPWXQRGCSA-N

> <INCHI>
InChI=1S/C20H20O5/c1-10(2)17(23)8-14-16(22)6-5-12-15-9-24-18-7-11(21)3-4-13(18)20(15)25-19(12)14/h3-7,15,17,20-23H,1,8-9H2,2H3/t15-,17+,20-/m0/s1

> <SMILES>
C1(O)C=CC2[C@]3([H])OC4=C(C[C@@H](O)C(C)=C)C(O)=CC=C4[C@]3([H])COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257432

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3091605

> <CITATION>
-

$$$$