LMPK12160046
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
   14.1937    7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1976    8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4029    8.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    8.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6003    7.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3950    7.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7825    8.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9839    8.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1894    8.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7840    9.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0153    7.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1934    9.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3694   10.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5416    9.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5376    8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3614    8.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4069    9.8219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120    8.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7080    7.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8822    7.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8782    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6515    7.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    6.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6745   10.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5313   11.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  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 16  2  0  0  0  0
 16  9  1  0  0  0  0
  3 17  1  0  0  0  0
 15 18  1  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
 20 22  1  0  0  0  0
 16 23  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160046

> <COMMON_NAME>
Gancaonin I

> <SYSTEMATIC_NAME>
5-(3-Methyl-2-butenyl)-2-(2,4-dihydroxyphenyl)-4,6-dimethoxybenzofuran

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DKVBYQAVNNRVNN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3

> <SMILES>
C1(O)=CC=C(C2OC3C=C(OC)C(C/C=C(\C)/C)=C(OC)C=3C=2)C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038756

> <CHEBI_ID>
69099

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
480777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46347

> <CITATION>
-

$$$$