127295
  CDK     1106202311

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.9520    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7620   -2.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6035   -1.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3495   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205   -1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4 10  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
 11 13  3  0  0  0  0 
 12 14  3  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:166496

> <NAME>
Repandiol

> <STAR>
2

> <IUPAC_NAME>
[3-[4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol; [(2R,3R)-3-[4-[(2R,3R)-3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol

> <FORMULA>
C10H10O4

> <MASS>
194.186

> <MONOISOTOPIC_MASS>
194.05791

> <CHARGE>
0

> <SMILES>
O1C(C1C#CC#CC2OC2CO)CO

> <INCHI>
InChI=1S/C10H10O4/c11-5-9-7(13-9)3-1-2-4-8-10(6-12)14-8/h7-12H,5-6H2

> <INCHIKEY>
BQWDCZPSFPXRCB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
147921-90-2

> <CHEMIDPLUS>
147921-90-2

$$$$