LMPK12160035
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
   14.4662    7.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4752    8.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6723    9.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8604    8.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8514    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6543    7.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029    9.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1910    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3886    9.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981   10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397   10.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717   10.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6621    9.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5205    8.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141   10.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0127   10.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842    7.3709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7948    8.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    7.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9181    7.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9084    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9640    6.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9599    6.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6890    7.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1910    7.1158    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
  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  1  2  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  1  0  0  0  0
 10 16  1  0  0  0  0
  5 17  1  0  0  0  0
 13 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
  1 23  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160035

> <COMMON_NAME>
Ambofuranol

> <SYSTEMATIC_NAME>
6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRFPSPZXZWQQHE-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)C=CC(C2OC3=CC(O)=C(C/C=C(\C)/C)C=C3C=2OC)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260108

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$