LMPK12020164
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
   12.0812    9.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2028    9.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3244    9.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3244    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2028    7.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0812    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4460    9.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5676    9.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5676    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4460    7.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596    7.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8380    8.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8380    9.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596    9.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6072    9.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7676    8.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806   10.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9206   10.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9206    9.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2028    6.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0860    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4256    6.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5425    6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  5 23  1  0  0  0  0
  8 11  1  1  0  0  0
 10 25  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020164

> <COMMON_NAME>
Xuulanin

> <SYSTEMATIC_NAME>
2H, (6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran

> <FORMULA>
C22H24O4

> <MASS>
352.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GFVVFOVUYZBZJA-ATNAJCNCSA-N

> <INCHI>
InChI=1S/C22H24O4/c1-22(2)11-10-15-17(26-22)13-19-20(21(15)24-4)18(23-3)12-16(25-19)14-8-6-5-7-9-14/h5-11,13,16,18H,12H2,1-4H3/t16-,18?/m0/s1

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C(OC)C[C@@H](C3C=CC=CC=3)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257134

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3925

> <CITATION>
10963455

$$$$