LMPK12140633
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.7178    9.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7178    8.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    8.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    9.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    9.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4339    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3394    8.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3394    9.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4339    9.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3006    9.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2059    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1114    9.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1114   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2059   11.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3006   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4339    6.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800    9.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9090   11.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9116    7.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370    8.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5676   10.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9097    9.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7336    9.8485    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  6  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
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140633

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2S)-5,6,7,3',4'-Pentamethoxyflavanone

> <FORMULA>
C20H22O7

> <MASS>
374.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HFKPIRGXRKMHJS-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-8,10,14H,9H2,1-5H3/t14-/m0/s1

> <SMILES>
C1(OC)C=C2O[C@H](C3C=CC(OC)=C(OC)C=3)CC(=O)C2=C(OC)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10937632

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 408488

> <CITATION>
11605671

$$$$