8335
  -OEChem-04252408312D

 36 38  0     1  0  0  0  0  0999 V2000
    8.1777   -0.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5321   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3468   -1.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079   -1.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5990   -2.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4634   -0.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 36  1  0  0  0  0
  4 10  2  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 21  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
495

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAACBwAAAGgAACAAADQSgmAIyDoAABkCIAqhSgAACCAAkIAAIiAEGCMgcJjaENRqCOWCk4BEMqYeLyvCuAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[1-(2-furyl)-3-oxo-butyl]-2-hydroxy-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[1-(2-furanyl)-3-oxobutyl]-2-hydroxy-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[1-(furan-2-yl)-3-oxobutyl]-2-hydroxychromen-4-one

> <PUBCHEM_IUPAC_NAME>
3-[1-(furan-2-yl)-3-oxobutyl]-2-hydroxychromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[1-(furan-2-yl)-3-oxidanylidene-butyl]-2-oxidanyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[1-(2-furyl)-3-keto-butyl]-2-hydroxy-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,20H,9H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
VGVYRHYDNGFIGF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.8

> <PUBCHEM_EXACT_MASS>
298.08412354

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14O5

> <PUBCHEM_MOLECULAR_WEIGHT>
298.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)CC(C1=CC=CO1)C2=C(OC3=CC=CC=C3C2=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)CC(C1=CC=CO1)C2=C(OC3=CC=CC=C3C2=O)O

> <PUBCHEM_CACTVS_TPSA>
76.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.08412354

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  20  8
1  9  8
10  12  8
12  14  8
12  16  8
14  18  8
15  17  8
16  21  8
17  20  8
18  22  8
2  11  8
2  14  8
21  22  8
6  8  3
7  10  8
7  11  8
9  15  8

$$$$