Marvin  01211316202D          

 12 12  0  0  0  0            999 V2000
   -0.1788   -7.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337   -8.6612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9457   -9.0737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7707   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2457   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0707   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8957   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7207   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0038   -7.9450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337   -9.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
M  END
> <ID>
CHEBI:65857

> <NAME>
trans-2,3-epoxydeca-4,6,8-triyn-1-ol

> <DEFINITION>
An epoxide substituted at position 2 by a hydroxymethyl group and at position 3 by a hepta-1,3,5-triyn-1-yl group (the 2S,3S)-diastereomer. It is isolated from  Trametes pubescens and exhibits antifungal properties.

> <STAR>
3

> <SYNONYM>
(2S,3S)-2,3-epoxydeca-4,6,8-triyn-1-ol

> <IUPAC_NAME>
[(2S,3S)-3-(hepta-1,3,5-triyn-1-yl)oxiran-2-yl]methanol

> <FORMULA>
C10H8O2

> <MASS>
160.16930

> <MONOISOTOPIC_MASS>
160.05243

> <CHARGE>
0

> <SMILES>
CC#CC#CC#C[C@@H]1O[C@H]1CO

> <INCHI>
InChI=1S/C10H8O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,8H2,1H3/t9-,10-/m0/s1

> <INCHIKEY>
DLTRTPLJAAMGPB-UWVGGRQHSA-N

> <PUBMED_CITATION>
8201314

$$$$