LMPK12140624
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.7093    7.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093    6.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3779    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0464    6.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0464    7.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3779    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3836    6.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3836    7.5309    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7150    7.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0521    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7335    7.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4150    7.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4150    8.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7335    9.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0521    8.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7150    5.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0835    9.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    6.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3779    5.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    7.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    9.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 23  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140624

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4'-Hydroxy-5,6,7-trimethoxyflavanone

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDGDCUUTDPJPTI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-21-15-9-14-16(18(23-3)17(15)22-2)12(20)8-13(24-14)10-4-6-11(19)7-5-10/h4-7,9,13,19H,8H2,1-3H3

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
C15019

> <HMDB_ID>
-

> <CHEBI_ID>
79542

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
244387

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$