LMPK12160050
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0     0  0            999 V2000
   13.2801    8.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2783    9.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4850    9.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6955    8.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4887    7.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8455    9.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0540    9.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8494    7.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2612    9.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592   10.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4111   11.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5648   10.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    9.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4150    9.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8437   10.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1281    7.9457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   11.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372    9.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3357    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3357    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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 14  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160050

> <COMMON_NAME>
Sophorafuran A

> <SYSTEMATIC_NAME>
2-(2,4-Dihydroxy-3-methoxyphenyl)-5,6-methylenedioxybonzofuran

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JLUJDFKGPNDZDZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-19-16-10(17)3-2-9(15(16)18)12-4-8-5-13-14(21-7-20-13)6-11(8)22-12/h2-6,17-18H,7H2,1H3

> <SMILES>
C1(O)C=CC(C2OC3=CC4OCOC=4C=C3C=2)=C(O)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260114

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2891946

> <CITATION>
-

$$$$