Chem
J-GLOBAL ID：200907045709875730
Nikkaji number：J6.227H
Cicutoxin
シクトキシン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C17H22O2
Molecular formula furigana： C17-H22-O2
Molecular weight： 258.361
InChI：
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3
InChI key：
FQVNSJQTSOVRKZ-UHFFFAOYSA-N
SMILES：
CCCC(O)C=CC=CC=CC#CC#CCCCO
Systematic name (2)：
- 8,10,12-ヘプタデカトリエン-4,6-ジイン-1,14-ジオール
- heptadeca-8,10,12-trien-4,6-diyne-1,14-diol
- シクトキシン
- Cicutoxin
- 8,10,12-Heptadecatriene-4,6-diyne-1,14-diol
- ヘプタデカ-8,10,12-トリエン-4,6-ジイン-1,14-ジオール
- Heptadeca-8,10,12-triene-4,6-diyne-1,14-diol
Regulation number (1)：
- MI3950000
KEGG COMPOUND：
C08402
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