LMPK12020194
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5760    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    7.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    7.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9494    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9494    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    9.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6522    8.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5118    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5118   10.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6522   10.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928   10.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3553   10.7616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928    7.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6522   11.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193   10.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7324   11.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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  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  1  6  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  8 20  1  1  0  0  0
 15 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020194

> <COMMON_NAME>
Mesquitol-4alpha-ol 8-methyl ether

> <SYSTEMATIC_NAME>
(2R,3S,4R)-3,4,7,3',4'-Pentahydroxy-8-methoxyflavan

> <FORMULA>
C16H16O7

> <MASS>
320.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ILQKGSIPOHRREM-HZSPNIEDSA-N

> <INCHI>
InChI=1S/C16H16O7/c1-22-16-10(18)5-3-8-12(20)13(21)14(23-15(8)16)7-2-4-9(17)11(19)6-7/h2-6,12-14,17-21H,1H3/t12-,13+,14-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193311

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257149

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 138515

> <CITATION>
-

$$$$