LMPK12140654
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.1786    7.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1964    8.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1271    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9738    7.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9621    8.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1029    9.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8599    9.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1271    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575    8.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6553    9.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6553   10.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575   10.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8599   10.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077    9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4012    8.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4012    7.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077    7.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077    6.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3077   10.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5064   10.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6440    9.0316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6440   10.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6094    7.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    8.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    9.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    7.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583    6.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9583   10.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1506   10.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  6  0  0  0
  3  8  2  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  2 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  1  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140654

> <COMMON_NAME>
Macrophyllol A (flavone)

> <SYSTEMATIC_NAME>
5-Hydroxy-7,8-dimethoxy-6-(2-hydroxy-5-methoxybenzyl)flavanone

> <FORMULA>
C25H24O7

> <MASS>
436.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JPVGMUKLJFGCKP-FQEVSTJZSA-N

> <INCHI>
InChI=1S/C25H24O7/c1-29-16-9-10-18(26)15(11-16)12-17-22(28)21-19(27)13-20(14-7-5-4-6-8-14)32-24(21)25(31-3)23(17)30-2/h4-11,20,26,28H,12-13H2,1-3H3/t20-/m0/s1

> <SMILES>
C12C(O)=C(CC3C(O)=CC=C(OC)C=3)C(OC)=C(OC)C=1O[C@H](C1C=CC=CC=1)CC2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185938

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608112

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1603844

> <CITATION>
-

$$$$