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(Q104922195)
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Ageratone
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
biogenic benzofuran
0 references
mass
274.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₅
0 references
canonical SMILES
O=C(OCC(=C)C=1OC=2C=C(O)C(=CC2C1)C(=O)C)C
0 references
found in taxon
Ageratum houstonianum
2 references
stated in
Benzofuran derivatives from Ageratum houstonianum
stated in
Ageratone and Dihydroageratone, New Benzofuran Derivatives from Ageratum houstonianum Mill.
Eutrochium purpureum var. purpureum
1 reference
stated in
A germacranolide and a longipinene derivative from Eupatoriadelphus purpureus
Identifiers
InChI
InChI=1S/C15H14O5/c1-8(7-19-10(3)17)14-5-11-4-12(9(2)16)13(18)6-15(11)20-14/h4-6,18H,1,7H2,2-3H3
0 references
InChIKey
BAIHFAXNLDBEGE-UHFFFAOYSA-N
0 references
PubChem CID
90470827
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BAIHFAXNLDBEGE-UHFFFAOYSA-N
UniChem compound ID
97498228
1 reference
stated in
UniChem
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