LMPK12080022
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0            999 V2000
   10.2410   -7.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410   -8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0787   -8.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9164   -8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9164   -7.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0787   -6.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7539   -8.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5915   -8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5915   -7.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7539   -6.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4753   -8.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4753   -9.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3708  -10.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2663   -9.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2663   -8.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3708   -8.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0787   -5.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2499  -10.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8574   -9.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2499   -8.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4034   -6.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5915  -10.4598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410   -5.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4034   -5.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5197   -5.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4034   -4.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5197   -4.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359   -3.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359   -2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7521   -2.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5197   -2.4152    0.0000 C   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  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  1  2  1  0     0  0
  6 17  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 15  1  0     0  0
 21  1  1  0     0  0
 12 22  1  0     0  0
 17 23  2  0     0  0
 23 24  1  0     0  0
 24 21  1  0     0  0
 24 25  1  0     0  0
 24 26  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
M  END
> <LM_ID>
LMPK12080022

> <COMMON_NAME>
Nitidulan

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

> <FORMULA>
C26H28O5

> <MASS>
420.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CBOJKMZBEYAWFP-QOBPCVTDSA-N

> <INCHI>
InChI=1S/C26H28O5/c1-16(2)5-4-9-26(3)10-8-19-22(31-26)7-6-17-11-18(14-28-25(17)19)20-12-23-24(13-21(20)27)30-15-29-23/h5-8,10,12-13,18,27H,4,9,11,14-15H2,1-3H3/t18-,26?/m1/s1

> <SMILES>
C12OC(C)(CC/C=C(\C)/C)C=CC=1C1OC[C@H](C3=CC4OCOC=4C=C3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178335946

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$