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(Q82914403)
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English
1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic naphthochinone
0 references
mass
256.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₆O₃
0 references
canonical SMILES
O=C1C(OC)=C(C(=O)C=2C=CC=CC12)CC=C(C)C
0 references
found in taxon
Rubia tinctorum
2 references
stated in
The mutagenic constituents of Rubia tinctorum
stated in
The mutagenic constituents of Rubia tinctorum
Handroanthus impetiginosum
1 reference
stated in
High-performance liquid chromatographic separation of some naturally occurring naphtoquinones and anthraquinones
Handroanthus impetiginosus
1 reference
stated in
High-performance liquid chromatographic separation of some naturally occurring naphtoquinones and anthraquinones
Identifiers
InChI
InChI=1S/C16H16O3/c1-10(2)8-9-13-14(17)11-6-4-5-7-12(11)15(18)16(13)19-3/h4-8H,9H2,1-3H3
0 references
InChIKey
NHTTYMNGELRKMP-UHFFFAOYSA-N
0 references
CAS Registry Number
17241-45-1
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PubChem CID
96950
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NHTTYMNGELRKMP-UHFFFAOYSA-N
UniChem compound ID
32045748
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30938145
1 reference
matched by identifier from
InChIKey
InChIKey
NHTTYMNGELRKMP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301366688
0 references
NSC number
95401
0 references
Probes And Drugs ID
PD001060
0 references
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