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(Q105151534)
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English
Methyl 2-[2-acetyloxy-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoate
group of stereoisomers with the chemical formula C₁₈H₂₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
xanthane sesquiterpenoid
1 reference
inferred from
xanthane sesquiterpenoid
mass
322.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₆O₅
0 references
canonical SMILES
O=C(OC)C(=C)C1CCC(C(=CC1OC(=O)C)CCC(=O)C)C
0 references
found in taxon
Inula verbascifolia
1 reference
stated in
Terpenes from Inula verbascifolia
Identifiers
InChI
InChI=1S/C18H26O5/c1-11-6-9-16(13(3)18(21)22-5)17(23-14(4)20)10-15(11)8-7-12(2)19/h10-11,16-17H,3,6-9H2,1-2,4-5H3
0 references
InChIKey
LGQRRFSLSUNMQX-UHFFFAOYSA-N
0 references
PubChem CID
73880829
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LGQRRFSLSUNMQX-UHFFFAOYSA-N
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