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(Q105155933)
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English
[6-ethenyl-7-(3-hydroxyprop-1-en-2-yl)-6-methyl-3-methylidene-2-oxo-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl] 4-acetyloxy-3-hydroxy-2-methylidenebutanoate
group of stereoisomers with the chemical formula C₂₂H₂₈O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
elemane sesquiterpenoid
1 reference
inferred from
elemane sesquiterpenoid
mass
420.1784178559998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₈
0 references
canonical SMILES
O=C(OC1CC(C=C)(C)C(C(=C)CO)C2OC(=O)C(=C)C12)C(=C)C(O)COC(=O)C
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Identifiers
InChI
InChI=1S/C22H28O8/c1-7-22(6)8-16(29-20(26)12(3)15(25)10-28-14(5)24)17-13(4)21(27)30-19(17)18(22)11(2)9-23/h7,15-19,23,25H,1-4,8-10H2,5-6H3
0 references
InChIKey
LQWWDXLONKHWEL-UHFFFAOYSA-N
0 references
PubChem CID
78191539
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LQWWDXLONKHWEL-UHFFFAOYSA-N
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