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(Q104908413)
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English
quinic acid
group of stereoisomers with the chemical formula C₇H₁₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
192.063388104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂O₆
0 references
canonical SMILES
O=C(O)C1(O)CC(O)C(O)C(O)C1
0 references
found in taxon
Punica granatum
1 reference
stated in
Punica granatum (pomegranate) and its potential for prevention and treatment of inflammation and cancer
Helichrysum italicum
1 reference
stated in
Dicaffeolyquinic acids from Helichrysum italicum and Achillea cartilaginea
Sarcandra glabra
1 reference
stated in
Chemical profiling of bioactive constituents in Sarcandra glabra and its preparations using ultra-high-pressure liquid chromatography coupled with LTQ Orbitrap mass spectrometry
Identifiers
InChI
InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)
0 references
InChIKey
AAWZDTNXLSGCEK-UHFFFAOYSA-N
0 references
CAS Registry Number
562-73-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
1064
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
177632
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
22925266
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_ReSpect-PS062907
1 reference
InChIKey
AAWZDTNXLSGCEK-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-PT206290
1 reference
InChIKey
AAWZDTNXLSGCEK-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-PS062908
1 reference
InChIKey
AAWZDTNXLSGCEK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Probes And Drugs ID
PD056359
0 references
Encyclopedia of China (Third Edition) ID
413999
0 references
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