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English
3-Indolyl acetate
chemical compound
3-Acetoxyindole
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
175.063328528
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₉NO₂
0 references
canonical SMILES
CC(=O)OC1=CNC2=CC=CC=C21
0 references
found in taxon
Strychnos cathayensis
1 reference
stated in
Chemical Constituents fromStrychnos Cathayensis
Identifiers
InChI
InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
0 references
InChIKey
JBOPQACSHPPKEP-UHFFFAOYSA-N
0 references
CAS Registry Number
608-08-2
1 reference
InChIKey
JBOPQACSHPPKEP-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=608-08-2
PubChem CID
11841
0 references
ChEBI ID
169991
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
SureChEMBL ID
SCHEMBL15553
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
8298739
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID6060559
0 references
DSSTOX compound identifier
DTXCID9042881
0 references
NSC number
13964
0 references
EC number
210-154-2
0 references
ECHA Substance Infocard ID
100.009.232
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.009.232
retrieved
29 December 2019
title
3-acetoxyindole
(English)
quotation
CAS no.: 608-08-2
(English)
Human Metabolome Database ID
HMDB0245796
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD000136
0 references
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