LMPK12020175
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.4714    8.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    7.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    7.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930    7.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930    8.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    9.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0538    7.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    7.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    8.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0538    9.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7751    9.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524    8.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5297    9.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5297   10.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524   10.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7751   10.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0538    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4068   10.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7751    7.3543    0.0000 O   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  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
M  END
> <LM_ID>
LMPK12020175

> <COMMON_NAME>
Guibourtinidol-4alpha-ol

> <SYSTEMATIC_NAME>
3,4,7,4'-Tetrahydroxyflavan

> <FORMULA>
C15H14O5

> <MASS>
274.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NTLUSUFJOUMRLA-QLFBSQMISA-N

> <INCHI>
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,13-19H/t13-,14+,15-/m1/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)[C@H](O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13886896

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 138515

> <CITATION>
-

$$$$