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CHEBI:169170 - ()-Conen

ChEBI IDCHEBI:169170
ChEBI Name()-Conen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21O2PS2
Net Charge0
Average Mass304.417
Monoisotopic Mass304.07206
SMILESCCCCOP(=O)(SCC)SCc1ccccc1
InChIInChI=1S/C13H21O2PS2/c1-3-5-11-15-16(14,17-4-2)18-12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyWRIYPTGFYKBSFU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
()-Conen (CHEBI:169170) is a benzenes (CHEBI:22712)
IUPAC Name 
[butoxy(ethylsulanyl)phosphoryl]sulanylmethylbenzene
Manual XrefsDatabases
84063ChemSpider
HMDB0029614HMDB
Registry NumbersSources
CAS:27949-52-6ChemIDplus