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(Q105170126)
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English
6-[(acetyloxy)methyl]-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylbut-2-enoate
group of stereoisomers with the chemical formula C₂₂H₂₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
436.17333247599976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₉
0 references
canonical SMILES
O=C1OC2=CC3(OC(O)(CC3)C(O)(C)CC(OC(=O)C(=CC)C)C2=C1COC(=O)C)C
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Identifiers
InChI
InChI=1S/C22H28O9/c1-6-12(2)18(24)29-16-10-21(5,26)22(27)8-7-20(4,31-22)9-15-17(16)14(19(25)30-15)11-28-13(3)23/h6,9,16,26-27H,7-8,10-11H2,1-5H3
0 references
InChIKey
MQNMSVWAHXTXJT-UHFFFAOYSA-N
0 references
PubChem CID
329716
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQNMSVWAHXTXJT-UHFFFAOYSA-N
UniChem compound ID
52542297
1 reference
stated in
UniChem
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