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(Q81976268)
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Dimethylmalate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty alcohol
0 references
biogenic acyclic ester
0 references
mass
162.05282342
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₀O₅
0 references
canonical SMILES
O=C(OC)CC(O)C(=O)OC
0 references
found in taxon
Tagetes patula
1 reference
stated in
Hypotensive and toxicological study of citric acid and other constituents from Tagetes patula roots
Tagetes erecta
1 reference
stated in
Hypotensive and toxicological study of citric acid and other constituents from Tagetes patula roots
Dendrobium huoshanense
1 reference
stated in
6,8-Di-C-glycosyl flavonoids from Dendrobium huoshanense
Dendrobium officinale
1 reference
stated in
6,8-Di-C-glycosyl flavonoids from Dendrobium huoshanense
Identifiers
InChI
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3
0 references
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
0 references
CAS Registry Number
1587-15-1
1 reference
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1587-15-1
PubChem CID
12674
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL205700
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
UniChem compound ID
23199022
1 reference
stated in
UniChem
NMRShiftDB structure ID
20200704
1 reference
matched by identifier from
InChIKey
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID2037213
1 reference
matched by identifier from
InChIKey
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0017213
0 references
NSC number
165661
0 references
UNII
2DXY0K7M4R
1 reference
matched by identifier from
InChIKey
InChIKey
YSEKNCXYRGKTBJ-UHFFFAOYSA-N
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