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(Q104954303)
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English
quercetin 3'-isobutyrate
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
flavone
0 references
mass
372.084517472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₆O₈
0 references
canonical SMILES
O=C(OC=1C=C(C=CC1O)C=2OC=3C=C(O)C=C(O)C3C(=O)C2O)C(C)C
0 references
found in taxon
Traversia baccharoides
1 reference
stated in
A new truxillate and some flavonoid esters from the leaf gum of Traversiabaccharoides Hook. f.
Identifiers
InChI
InChI=1S/C19H16O8/c1-8(2)19(25)27-13-5-9(3-4-11(13)21)18-17(24)16(23)15-12(22)6-10(20)7-14(15)26-18/h3-8,20-22,24H,1-2H3
0 references
InChIKey
CDEJOLJALIACLC-UHFFFAOYSA-N
0 references
PubChem CID
44259327
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CDEJOLJALIACLC-UHFFFAOYSA-N
ChEBI ID
169742
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H16O8/c1-8(2)19(25)27-13-5-9(3-4-11(13)21)18-17(24)16(23)15-12(22)6-10(20)7-14(15)26-18/h3-8,20-22,24H,1-2H3
UniChem compound ID
68531454
1 reference
stated in
UniChem
KNApSAcK ID
C00004929
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CDEJOLJALIACLC-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12112301
1 reference
InChIKey
CDEJOLJALIACLC-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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