LMPK12130059
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0     0  0            999 V2000
    8.6631    8.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6631    9.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7526   10.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8420    9.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8420    8.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7526    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6631    8.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2812    8.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6631    9.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0560    8.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5340   11.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4883   11.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4430    9.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3527    9.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8076   10.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3527   11.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4430   11.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9881   10.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4430    8.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9354    7.0837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9122    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 10 20  2  0  0  0  0
  7 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130059

> <COMMON_NAME>
Derriobtusone A

> <SYSTEMATIC_NAME>
2-Benzoyl-3-methoxybenzo[1,2-b:3,4-b']difuran

> <FORMULA>
C18H12O4

> <MASS>
292.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOMYTSYGOQQBAH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3

> <SMILES>
C12C(OC)=C(C(=O)C3C=CC=CC=3)OC=1C1C=COC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196233

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607786

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$