LMPK12080017
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0            999 V2000
    9.3912   -6.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912   -7.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2378   -7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0842   -7.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0842   -6.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2378   -5.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307   -7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7773   -7.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7773   -6.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307   -5.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6237   -7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6237   -8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5288   -9.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4339   -8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4339   -7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5288   -7.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450   -5.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7773   -9.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2378   -4.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912   -4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450   -4.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562   -3.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675   -4.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4277   -8.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0420   -8.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4277   -7.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  1  2  1  0     0  0
  1 17  1  0     0  0
 12 18  1  0     0  0
  6 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 17  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 14 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 15  1  0     0  0
M  END
> <LM_ID>
LMPK12080017

> <COMMON_NAME>
Leiocin

> <SYSTEMATIC_NAME>
6-[(S)-3,4-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-1,3-benzodioxol-5-ol

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ADVVUFYZTDQZLS-CYBMUJFWSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-21(2)6-5-14-17(26-21)4-3-12-7-13(10-23-20(12)14)15-8-18-19(9-16(15)22)25-11-24-18/h3-6,8-9,13,22H,7,10-11H2,1-2H3/t13-/m1/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1OC[C@H](C3C=C4OCOC4=CC=3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22296339

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$