LMPK12113397
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    4.6750   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5410   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5410   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4071   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4070   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1391   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1392   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0052   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8712   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8712   -3.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0052   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4070   -6.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7372   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6033   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9430   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9430   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1391   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0053   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8713   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7373   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6033   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4694   -5.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9429   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
 10 17  2  0     0  0
 12 18  1  0     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
  6 21  1  0     0  0
 21 22  1  0     0  0
  9 23  1  0     0  0
 16 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
  4 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
M  END
> <LM_ID>
LMPK12113397

> <COMMON_NAME>
Heterophynone

> <SYSTEMATIC_NAME>
2',3-dihydroxy-7,4'-dimethoxy-5,6'-dipentyl flavone

> <FORMULA>
C27H34O6

> <MASS>
454.24

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2',3-dihydroxy-7,4'-dimethoxy-5,6'-dipentyl flavonol

> <INCHI_KEY>
BHQQDOAHSFFCFD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H34O6/c1-5-7-9-11-17-13-19(31-3)15-21(28)23(17)27-26(30)25(29)24-18(12-10-8-6-2)14-20(32-4)16-22(24)33-27/h13-16,28,30H,5-12H2,1-4H3

> <SMILES>
C1=C(OC)C=C(CCCCC)C2C(=O)C(O)=C(C3=C(CCCCC)C=C(OC)C=C3O)OC1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120339

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
82456

> <CITATION>
32530301

$$$$