CHEBI:173633 - Brassitin

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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 Brassitin
ChEBI ID CHEBI:173633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H12N2OS
Net Charge 0
Average Mass 220.290
Monoisotopic Mass 220.06703
InChI InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
InChIKey GHGDPZHQDKPWOJ-UHFFFAOYSA-N
SMILES S(C(=O)NCC=1C=2C(NC1)=CC=CC2)C
ChEBI Ontology
Outgoing Brassitin (CHEBI:173633) is a indoles (CHEBI:24828)
IUPAC Name
S-methyl N-(1H-indol-3-ylmethyl)carbamothioate
Manual Xrefs Databases
8211978 ChemSpider
HMDB0040977 HMDB
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