LMPK12111980
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.7067    7.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7067    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4230    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1393    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1393    7.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4230    7.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8556    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719    6.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719    7.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8556    7.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8556    5.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2879    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0180    7.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7480    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7480    8.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0180    8.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2879    8.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9897    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3184    6.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9907    6.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2762    6.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5617    6.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5617    5.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8473    6.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4230    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4778    8.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1343    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    6.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7114    5.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4860    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  1  1  0  0  0  0
  8 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  0  0  0
 15 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111980

> <COMMON_NAME>
Macarangin

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MBIJQAHZUBUPNM-VIZOYTHASA-N

> <INCHI>
InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20-21(22(18)28)23(29)24(30)25(31-20)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7+

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1C/C=C(/CC/C=C(/C)\C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70022

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10047854

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$