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(Q72483799)
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English
1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)ethan-1-one
chemical compound
3-Methylxanthoxylin
Methylxanthoxylin
Methylxanthoxyline
NSC 296648
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
210.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₄
0 references
canonical SMILES
CC1=C(C(=C(C=C1OC)OC)C(=O)C)O
0 references
found in taxon
Syzygium cumini
1 reference
stated in
The Oil of Cloves
Euphorbia portulacoides
1 reference
stated in
Diterpenes and phloracetophenones from Euphorbia portulacoides
Acradenia frankliniae
1 reference
stated in
Some ketones from Acradenia franklinii
Identifiers
InChI
InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3
0 references
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
0 references
CAS Registry Number
23121-32-6
1 reference
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=23121-32-6
PubChem CID
326186
1 reference
matched by identifier from
InChIKey
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
ChEBI ID
169463
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3
UniChem compound ID
823210
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40315726
1 reference
matched by identifier from
InChIKey
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80266849
0 references
NSC number
296648
0 references
Human Metabolome Database ID
HMDB0034047
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
KNApSAcK ID
C00057274
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
UNII
LNH3WA4DXC
1 reference
matched by identifier from
InChIKey
InChIKey
AAOFJKLTRKOQTQ-UHFFFAOYSA-N
Probes And Drugs ID
PD118974
0 references
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