LMPK12112727
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.7348    8.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    7.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4302    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4302    8.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    9.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778    7.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1253    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1253    8.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778    9.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9729    9.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369    8.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7008    9.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7008   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369   10.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9729   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5485   10.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8871    9.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    8.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8871    7.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8369   11.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5500    9.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9729    7.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2927    8.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 16 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
  3 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112727

> <COMMON_NAME>
Sarothranol

> <SYSTEMATIC_NAME>
8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C21H18O7

> <MASS>
382.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PKBDGQRRPFRWSU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O7/c1-21(2)7-6-11-14(28-21)9-15-16(17(11)24)18(25)20(26-3)19(27-15)10-4-5-12(22)13(23)8-10/h4-9,22-24H,1-3H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(OC)=C(C3C=C(O)C(O)=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187647

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9977173

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 282542

> <CITATION>
-

$$$$