LMPK12160047
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
   14.4622    7.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4580    8.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6562    8.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8583    8.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8623    7.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6641    6.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    8.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2364    8.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0425    6.7924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4349    8.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4305    9.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5732   10.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    9.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7244    8.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5816    8.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0217    9.6521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2862    6.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628   10.1282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0097    9.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0140    8.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8713    8.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317   10.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0883    7.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8071    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
  7 16  1  0  0  0  0
  1  2  1  0  0  0  0
 17  1  1  0  0  0  0
 11 16  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160047

> <COMMON_NAME>
Neoraufurane

> <SYSTEMATIC_NAME>
4-(4-Methoxy-7,7-dimethyl-7H-furo[3,2-g][1]benzopyran-2-yl)-1,3-benzenediol

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LROKNLVNTRTDCU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-20(2)7-6-13-18(25-20)10-17-14(19(13)23-3)9-16(24-17)12-5-4-11(21)8-15(12)22/h4-10,21-22H,1-3H3

> <SMILES>
C1(O)C=CC(C2OC3=CC4OC(C)(C)C=CC=4C(OC)=C3C=2)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260112

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$