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    The database and ontology of Chemical Entities of Biological Interest

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brussalexin A (CHEBI:38130)

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ChEBI Name brussalexin A
ChEBI ID CHEBI:38130
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C13H14N2OS ChEBI
Net Charge 0
Average Mass 246.32914
InChI
InChI=1S/C13H14N2OS/c1-2-7-14-13(16)17-9-10-8-15-12-6-4-3-5-11(10)12/h2-6,8,15H,1,7,9H2,(H,14,16)
InChIKey
OBOJQFIBBALTIN-UHFFFAOYSA-N
SMILES
C=CCNC(=O)SCc1c[nH]c2ccccc12
Roles Classification
Biological Role(s): phytoalexin
A toxin made by a plant that acts against an organism attacking it.
(via indole phytoalexin )
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing brussalexin A (CHEBI:38130) is a indole phytoalexin (CHEBI:24797)
brussalexin A (CHEBI:38130) is a monothiocarbamic ester (CHEBI:38128)
IUPAC Name
S-(1H-indol-3-ylmethyl) prop-2-en-1-ylcarbamothioate
Synonyms Sources
S-(1H-indol-3-ylmethyl) allylthiocarbamate ChEBI
S-(1H-indol-3-ylmethyl) prop-2-en-1-ylthiocarbamate IUPAC
Last Modified
08 août 2007

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