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(Q104988096)
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English
7-Methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₂₄O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
360.142032348
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₄O₉
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CCC3C
0 references
found in taxon
Incarvillea diffusa
1 reference
stated in
Antinociceptive substances from Incarvillea delavayi
Aria edulis
1 reference
stated in
Investigation of Uña De Gato I. 7-Deoxyloganic acid and 15N NMR spectroscopic studies on pentacyclic oxindole alkaloids from Uncaria tomentosa
Incarvillea arguta
1 reference
stated in
Antinociceptive substances from Incarvillea delavayi
Identifiers
InChI
InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)
0 references
InChIKey
DSXFHNSGLYXPNG-UHFFFAOYSA-N
0 references
PubChem CID
4490284
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DSXFHNSGLYXPNG-UHFFFAOYSA-N
ChEBI ID
167915
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)
UniChem compound ID
32010169
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309193
1 reference
InChIKey
DSXFHNSGLYXPNG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0037028
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DSXFHNSGLYXPNG-UHFFFAOYSA-N
Probes And Drugs ID
PD158725
0 references
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