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(Q104920962)
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English
axillarin 7-sulfate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
flavone
0 references
mass
426.025682268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₄O₁₁S
0 references
canonical SMILES
O=C1C(OC)=C(OC=2C=C(OS(=O)(=O)O)C(OC)=C(O)C12)C=3C=CC(O)=C(O)C3
0 references
found in taxon
Centaurea bracteata
1 reference
stated in
A flavonoid sulphate and other compounds from the roots of Centaurea bracteata
Identifiers
InChI
InChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24)
0 references
InChIKey
AYBWPCJLKMIOED-UHFFFAOYSA-N
0 references
PubChem CID
5323515
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AYBWPCJLKMIOED-UHFFFAOYSA-N
ChEBI ID
188021
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24)
UniChem compound ID
67904243
1 reference
stated in
UniChem
KNApSAcK ID
C00013955
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AYBWPCJLKMIOED-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12112974
1 reference
InChIKey
AYBWPCJLKMIOED-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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