148189
  -OEChem-04242421462D

 36 38  0     1  0  0  0  0  0999 V2000
    7.7221   -1.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881    0.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    1.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8561   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3561   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3561   -2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221   -1.0374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9900   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221   -0.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221   -1.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8561    0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530    0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6469    1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1581    2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4637   -3.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9387   -2.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735   -2.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484   -3.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6852   -2.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5321   -2.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7590   -1.5935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140   -1.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871   -1.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   -2.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -1.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    1.8958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482    0.0958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5058   -0.1518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    2.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8481    2.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    2.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 29  1  0  0  0  0
  2 10  2  0  0  0  0
  3 17  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
148189

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAGAAAAQAAAAAgAAAAAAAAAEAAAAAAGgAACAAADkSggAICAAAAAgCIAqBSAAIAAAAgAAAACAFAAEgIFBIAAAAAUAAEwAAIkYOIxOAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5'R)-1'-(hydroxymethyl)-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-1'-methylol-spiro[cyclopropane-1,6'-indene]-4'-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NICJCIQSJJKZAH-AWEZNQCLSA-N

> <PUBCHEM_XLOGP3_AA>
-0.2

> <PUBCHEM_EXACT_MASS>
246.125594432

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18O3

> <PUBCHEM_MOLECULAR_WEIGHT>
246.30

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

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

> <PUBCHEM_CACTVS_TPSA>
57.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.125594432

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
7  1  6

$$$$