365701
  -OEChem-04262400332D

 32 34  0     1  0  0  0  0  0999 V2000
    5.5981   -1.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5228    1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   -3.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147   -2.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494   -2.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244   -3.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611   -2.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081   -2.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -1.5935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -1.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5223    0.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369    1.8958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711    2.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    2.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972    2.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6  0  0  0
  1 27  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
365701

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
501

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAGAAAAQAAAAAgAAAAAAAAAEAAAAAAGgAACAAADkSAgAACAAAAAgCIAqBSAAIAAAAgAAAACAFAAEgIABIAAQAAQAAEwAAIgYOIgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5'R)-5'-hydroxy-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one

> <PUBCHEM_IUPAC_CAS_NAME>
(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-spiro[cyclopropane-1,6'-indene]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5&apos;<I>R</I>)-5&apos;-hydroxy-2&apos;,5&apos;,7&apos;-trimethylspiro[cyclopropane-1,6&apos;-indene]-4&apos;-one

> <PUBCHEM_IUPAC_NAME>
(5'R)-5'-hydroxy-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5'R)-2',5',7'-trimethyl-5'-oxidanyl-spiro[cyclopropane-1,6'-indene]-4'-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5'R)-5'-hydroxy-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-4'-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16O2/c1-8-6-10-9(2)14(4-5-14)13(3,16)12(15)11(10)7-8/h6-7,16H,4-5H2,1-3H3/t13-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HLAKJNQXUARACO-ZDUSSCGKSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
216.115029749

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16O2

> <PUBCHEM_MOLECULAR_WEIGHT>
216.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.115029749

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
6  1  6

$$$$