42607823
  CDK     1202211637

 23 27  0  0  0  0  0  0  0  0999 V2000
    3.6133   -0.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315   -2.9940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6666    2.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5142    3.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8015   -1.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984   -0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3510    0.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265   -1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0918   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0639    1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -2.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -2.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0607    1.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3447    2.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6265   -3.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6318    1.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315   -1.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3295    3.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 15  1  0  0  0  0 
  2 22  1  0  0  0  0 
  3 17  1  0  0  0  0 
  3 23  1  0  0  0  0 
  4 18  1  0  0  0  0 
  4 23  1  0  0  0  0 
  5 11  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 13  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 12  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 16  1  0  0  0  0 
 12 15  2  0  0  0  0 
 12 21  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 20  2  0  0  0  0 
 15 19  1  0  0  0  0 
 16 19  2  0  0  0  0 
 17 18  2  0  0  0  0 
 18 20  1  0  0  0  0 
 21 22  2  0  0  0  0 
M  END
> <ID>
CHEBI:185759

> <NAME>
3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone

> <STAR>
2

> <IUPAC_NAME>
2-(1,3-benzodioxol-5-yl)-2,3-dihydrouro[2,3-h]chromen-4-one

> <FORMULA>
C18H12O5

> <MASS>
308.289

> <MONOISOTOPIC_MASS>
308.06847

> <CHARGE>
0

> <SMILES>
O1C(CC(=O)C2=C1C3=C(OC=C3)C=C2)C4=CC=5OCOC5C=C4

> <INCHI>
InChI=1S/C18H12O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-7,16H,8-9H2

> <INCHIKEY>
SXFFQMAXCHJUIA-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12140068

$$$$