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(Q105340531)
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English
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₁₇H₂₂O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
386.121296904
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₁₀
0 references
canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C=CC2=CC(OC)=C(O)C(OC)=C2
0 references
found in taxon
Arabidopsis thaliana
4 references
stated in
An Arabidopsis Mutant Defective in the General Phenylpropanoid Pathway
stated in
Metabolome analysis of biosynthetic mutants reveals a diversity of metabolic changes and allows identification of a large number of new compounds in Arabidopsis
stated in
Metabolomics-oriented isolation and structure elucidation of 37 compounds including two anthocyanins from Arabidopsis thaliana
stated in
Metabolic changes in Arabidopsis thaliana expressing the feedback-resistant anthranilate synthase alpha subunit gene OASA1D
Identifiers
InChI
InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3
0 references
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
0 references
PubChem CID
4628123
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
UniChem compound ID
68896925
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309003
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR309004
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310737
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118101
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118102
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118103
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118104
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118105
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118106
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118107
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118108
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118109
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118110
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS118111
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT111810
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT211810
1 reference
InChIKey
XRKBRPFTFKKHEF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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