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(Q82253115)
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English
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
256.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O₅
0 references
canonical SMILES
COC1=C(C=CC(=C1)CCCO)OC(CO)CO
0 references
found in taxon
Croton lechleri
1 reference
stated in
Identification of minor secondary metabolites from the latex of Croton lechleri (Muell-Arg) and evaluation of their antioxidant activity
Juniperus communis
1 reference
stated in
New phenylpropanoid glycosides from Juniperus communis var. depressa
Juniperus communis depressa
1 reference
stated in
New phenylpropanoid glycosides from Juniperus communis var. depressa
Juniperus communis var. depressa
1 reference
stated in
New phenylpropanoid glycosides from Juniperus communis var. depressa
Identifiers
InChI
InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3
0 references
InChIKey
WAPGRPJEBCULTQ-UHFFFAOYSA-N
0 references
CAS Registry Number
71046-09-8
0 references
PubChem CID
10264377
1 reference
matched by identifier from
InChIKey
InChIKey
WAPGRPJEBCULTQ-UHFFFAOYSA-N
ChEBI ID
174363
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3
UniChem compound ID
32019066
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90437588
1 reference
matched by identifier from
InChIKey
InChIKey
WAPGRPJEBCULTQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60388412
0 references
Human Metabolome Database ID
HMDB0040352
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WAPGRPJEBCULTQ-UHFFFAOYSA-N
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