CHEBI:173803 - Berteroin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Berteroin
ChEBI ID CHEBI:173803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H13NS2
Net Charge 0
Average Mass 175.310
Monoisotopic Mass 175.04894
InChI InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
InChIKey HBVIMVJTUQNSEP-UHFFFAOYSA-N
SMILES S(CCCCCN=C=S)C
ChEBI Ontology
Outgoing Berteroin (CHEBI:173803) is a isothiocyanate (CHEBI:52221)
IUPAC Name
1-isothiocyanato-5-methylsulanylpentane
Manual Xrefs Databases
178520 ChemSpider
HMDB0031577 HMDB
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Registry Number Type Source
4430-42-6 CAS Registry Number ChemIDplus