LMPK12140199
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0            999 V2000
    9.6016   -6.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -7.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369   -6.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369   -5.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -5.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6016   -5.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0546   -7.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8721   -6.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8721   -5.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0546   -5.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6898   -5.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0546   -8.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5286   -5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3673   -5.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3673   -4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5286   -4.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6898   -4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -8.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4193   -4.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7840   -7.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7840   -5.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7842   -4.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7840   -8.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  4  1  0     0  0
  9 11  1  6     0  0
  7 12  2  0     0  0
 11 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 11  1  0     0  0
  2 18  1  0     0  0
  5 19  1  0     0  0
  1 20  1  0     0  0
  6 21  1  0     0  0
 21 22  1  0     0  0
 20 23  1  0     0  0
M  END
> <LM_ID>
LMPK12140199

> <COMMON_NAME>
Leridol

> <SYSTEMATIC_NAME>
(S)-5-Hydroxy-6- (hydroxymethyl)-7-methoxy-8-methylflavanone

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-hydroxymethyl-7-O-methylpinocembrin

> <INCHI_KEY>
NYMCJKZZZIZEPS-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C18H18O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,14,19,21H,8-9H2,1-2H3/t14-/m0/s1

> <SMILES>
C1(CO)C(OC)=C(C)C2O[C@H](C3C=CC=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185602

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101630662

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46142

> <CITATION>
-

$$$$