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(Q105304244)
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English
quercetin 3,7-di-O-sulfate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavone
0 references
mass
461.95628238
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₀O₁₃S₂
0 references
canonical SMILES
O=C1C(OS(=O)(=O)O)=C(OC2=CC(OS(=O)(=O)O)=CC(O)=C12)C=3C=CC(O)=C(O)C3
0 references
found in taxon
Reaumuria vermiculata
1 reference
stated in
Cytotoxic ellagitannins from Reaumuria vermiculata.
Pluchea dioscoridis
1 reference
stated in
Sulfated and Non-Sulfated Flavonoids from Pluchea dioscoridis
Iphiona scabra
1 reference
stated in
Flavonoids of iphiona scabra
Identifiers
InChI
InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
0 references
InChIKey
WFXOPUUONQJQRD-UHFFFAOYSA-N
0 references
PubChem CID
12988287
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
187546
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
44054144
1 reference
stated in
UniChem
KNApSAcK ID
C00004959
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMPK12112307
1 reference
InChIKey
WFXOPUUONQJQRD-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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