LMPK12140320
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.1199    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1390    6.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9358    6.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6074    6.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6218    7.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8778    7.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3814    6.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0724    6.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629    7.3004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3617    7.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7955    7.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5041    7.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2295    7.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2592    8.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5247    9.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7860    8.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3814    5.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9918    8.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9358    5.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8778    8.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.8643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    7.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6922    7.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    6.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346    5.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2301    7.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8125    0.0000 C   0  0  0  0  0  0  0  0  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  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
 18 14  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25  2  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140320

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2S)-4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NDFCDWPCDQESDP-INIZCTEOSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)8-7-13-18(25)17-15(24)9-16(11-3-5-12(23)6-4-11)26-20(17)14(10-22)19(13)27-21/h3-8,16,22-23,25H,9-10H2,1-2H3/t16-/m0/s1

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C[C@@H](C3C=CC(O)=CC=3)OC=1C=2CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10970624

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$