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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:38119 - brassinin
Main
ChEBI Ontology
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ChEBI Name
brassinin
ChEBI ID
CHEBI:38119
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H12N2S2
Net Charge
0
Average Mass
236.35846
Monoisotopic Mass
236.04419
InChI
InChI=1S/C11H12N2S2/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
QYKQWFZDEDFELK-UHFFFAOYSA-N
SMILES
CSC(=S)NCc1c[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 via ChEBI Ontology
ChEBI Ontology
Outgoing
brassinin (
CHEBI:38119
)
is a
dithiocarbamic ester (
CHEBI:38129
)
brassinin (
CHEBI:38119
)
is a
indole phytoalexin (
CHEBI:24797
)
IUPAC Name
methyl (1
H
-indol-3-ylmethyl)carbamodithioate
Synonyms
Sources
Brassinine
ChemIDplus
methyl (1
H
-indol-3-ylmethyl)dithiocarbamate
IUPAC
Registry Numbers
Types
Sources
105748-59-2
CAS Registry Number
ChemIDplus
3611293
Beilstein Registry Number
Beilstein
Last Modified
17 October 2009