ChEBI


  6  5  0  0  0  0  0  0  0  0  1 V2000
    8.9993   -6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2855   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4303   -6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166   -5.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5717   -6.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <ID>
CHEBI:16019

> <NAME>
prenol

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8392; CHEBI:14882; CHEBI:20113

> <SYNONYM>
prenol; Prenol; 3-Methyl-2-buten-1-ol; 3-methyl-2-buten-1-ol

> <IUPAC_NAME>
3-methylbut-2-en-1-ol

> <FORMULA>
C5H10O

> <MASS>
86.13230

> <MONOISOTOPIC_MASS>
86.07316

> <CHARGE>
0

> <SMILES>
CC(C)=CCO

> <INCHI>
InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3

> <INCHIKEY>
ASUAYTHWZCLXAN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
556-82-1

> <KEGG_COMPOUND_ACCESSION>
C01390

$$$$