LMPK12140536
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3538    7.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538    6.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    5.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330    6.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330    7.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    7.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5727    5.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    6.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    7.0335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5727    7.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0976    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8371    7.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5768    7.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5768    8.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8371    8.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0976    8.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5727    5.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6694    7.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8371    6.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8371    9.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4973   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2285    8.7171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8449    8.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140536

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone

> <FORMULA>
C18H18O7

> <MASS>
346.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVEWHXHGRUJELM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O7/c1-22-9-4-12(20)18-13(21)8-14(25-17(18)5-9)10-6-15(23-2)16(24-3)7-11(10)19/h4-7,14,19-20H,8H2,1-3H3

> <SMILES>
C1(OC)C=C2OC(C3C=C(OC)C(OC)=CC=3O)CC(=O)C2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186642

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608056

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$