25245021
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.6817   -0.0039    0.1639 C   0  0  2  0  0  0  0  0  0  1
    5.7080   -0.2801   -0.3127 C   0  0  1  0  0  0  0  0  0  2
    4.4621   -0.2809   -1.2187 C   0  0  2  0  0  0  0  0  0  3
    4.9708    0.7061    0.5995 C   0  0  3  0  0  0  0  0  0  4
    5.9796   -1.6380    0.3988 C   0  0  3  0  0  0  0  0  0  5
    3.5166   -1.2557    1.1072 C   0  0  0  0  0  0  0  0  0  6
    4.6004   -2.2734    0.7219 C   0  0  0  0  0  0  0  0  0  7
    4.5080    0.9586   -2.1732 C   0  0  0  0  0  0  0  0  0  8
    5.1259    2.0771   -0.0422 C   0  0  0  0  0  0  0  0  0  9
    2.4184    0.9108    0.1594 C   0  0  0  0  0  0  0  0  0 10
    6.7182   -2.6707   -0.4945 C   0  0  0  0  0  0  0  0  0 11
    4.9236    2.2029   -1.3649 C   0  0  0  0  0  0  0  0  0 12
    5.5414    3.2618    0.7822 C   0  0  0  0  0  0  0  0  0 13
    6.9103   -3.9843    0.2885 C   0  0  0  0  0  0  0  0  0 14
    8.1039   -2.1342   -0.9086 C   0  0  0  0  0  0  0  0  0 15
    6.6044    0.2075   -0.7176 H   0  0  0  0  0  0  0  0  0 16
    4.2239   -1.2390   -1.7057 H   0  0  0  0  0  0  0  0  0 17
    5.2146    0.6255    1.6677 H   0  0  0  0  0  0  0  0  0 18
    6.5835   -1.4308    1.2925 H   0  0  0  0  0  0  0  0  0 19
    3.6414   -0.9559    2.1477 H   0  0  0  0  0  0  0  0  0 20
    2.5286   -1.6956    0.9713 H   0  0  0  0  0  0  0  0  0 21
    4.2602   -2.8190   -0.1582 H   0  0  0  0  0  0  0  0  0 22
    4.7294   -2.9671    1.5527 H   0  0  0  0  0  0  0  0  0 23
    5.2330    0.7807   -2.9674 H   0  0  0  0  0  0  0  0  0 24
    3.5223    1.1196   -2.6096 H   0  0  0  0  0  0  0  0  0 25
    2.0212    0.9876    1.1715 H   0  0  0  0  0  0  0  0  0 26
    1.6606    0.4815   -0.4960 H   0  0  0  0  0  0  0  0  0 27
    2.6892    1.9035   -0.2003 H   0  0  0  0  0  0  0  0  0 28
    6.1183   -2.8671   -1.3946 H   0  0  0  0  0  0  0  0  0 29
    5.0512    3.1673   -1.8567 H   0  0  0  0  0  0  0  0  0 30
    5.5962    4.1459    0.1470 H   0  0  0  0  0  0  0  0  0 31
    6.5192    3.0721    1.2250 H   0  0  0  0  0  0  0  0  0 32
    4.8108    3.4286    1.5738 H   0  0  0  0  0  0  0  0  0 33
    7.4289   -4.7093   -0.3388 H   0  0  0  0  0  0  0  0  0 34
    5.9370   -4.3828    0.5748 H   0  0  0  0  0  0  0  0  0 35
    7.5010   -3.7911    1.1840 H   0  0  0  0  0  0  0  0  0 36
    8.6072   -2.8712   -1.5343 H   0  0  0  0  0  0  0  0  0 37
    8.7023   -1.9457   -0.0173 H   0  0  0  0  0  0  0  0  0 38
    7.9826   -1.2061   -1.4674 H   0  0  0  0  0  0  0  0  0 39
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 16  1  0  0  0
  3  8  1  0  0  0
  3 17  1  0  0  0
  4  9  1  0  0  0
  4 18  1  0  0  0
  5  7  1  0  0  0
  5 11  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 12  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 12  2  0  0  0
  9 13  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 14  1  0  0  0
 11 15  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25245021

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
312

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAABgAAAAAAAwYIEAAAAAAAAAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12-,13-,14?,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VLXDPFLIRFYIME-PLWLXLEKSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC2C3C1C2(CCC3C(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@H]2[C@H]3C1[C@@]2(CCC3C(C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  10  6
2  16  6
3  17  6
4  9  3
5  11  3

$$$$
