LMPK12020006
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
   12.1813    8.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3043    7.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4320    8.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5596    7.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5596    6.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4320    6.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3043    6.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872    8.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    7.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    6.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872    6.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1813    6.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712    7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9611    8.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9611    9.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712    9.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1813    9.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6812    9.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9377    8.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872    9.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  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  7  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 19  1  0  0  0  0
  7 12  1  6  0  0  0
  1 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  1  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020006

> <COMMON_NAME>
Tupichinol A

> <SYSTEMATIC_NAME>
(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-2H-1-benzopyran-3-ol

> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PSCVPMJLJOIQKC-RHSMWYFYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-10-15(20-2)8-5-12-9-14(19)17(21-16(10)12)11-3-6-13(18)7-4-11/h3-8,14,17-19H,9H2,1-2H3/t14-,17-/m1/s1

> <SMILES>
C1(C=CC(O)=CC=1)[C@@H]1[C@H](O)CC2C=CC(OC)=C(C)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185008

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
637885

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 927809

> <CITATION>
12608845

$$$$