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(Q105275990)
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English
3-Methylellagic acid 8-rhamnoside
group of stereoisomers with the chemical formula C₂₁H₁₈O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
462.079826016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈O₁₂
0 references
canonical SMILES
O=C1OC2=C(OC)C(O)=CC=3C(=O)OC=4C(OC5OC(C)C(O)C(O)C5O)=C(O)C=C1C4C23
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found in taxon
Trewia nudiflora
1 reference
stated in
Chemical constituents from the stem bark of Trewia nudiflora L. and their antioxidant activities.
Eucalyptus maidenii
2 references
stated in
Phenolic compounds from the branches of Eucalyptus maideni
stated in
Phloroglucinol glycosides from the fresh fruits of Eucalyptus maideni
Identifiers
InChI
InChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3
0 references
InChIKey
UNIJYMVRSKZTJI-UHFFFAOYSA-N
0 references
PubChem CID
73157208
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
191529
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
32021333
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037079
1 reference
based on heuristic
inferred from InChIKey
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