LMPK12140628
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.8670    8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670    8.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    7.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    9.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    7.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0927    8.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0927    8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    9.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992    9.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211    8.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5428    9.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5428   10.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8992   10.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    6.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494   10.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046   10.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211   11.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9764   12.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    6.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7091    6.0606    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
 25 26  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
  2 18  1  0  0  0  0
  3 25  1  0  0  0  0
 15 23  1  0  0  0  0
  1 21  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140628

> <COMMON_NAME>
Agestricin C

> <SYSTEMATIC_NAME>
6-Hydroxy-5,7,3',4'-tetramethoxyflavanone

> <FORMULA>
C19H20O7

> <MASS>
360.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZHHVNFYJMNMTJL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H20O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)18(21)19(17)25-4/h5-7,9,13,21H,8H2,1-4H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(OC)C(OC)=CC=3)CC(=O)C=2C(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21721838

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$