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(Q105309016)
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English
(9-Acetyloxy-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl) but-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₆O₉
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Statements
instance of
group of stereoisomers
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subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
422.15768241199976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₉
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canonical SMILES
O=C(OC1C(OC(=O)C)C(O)(C(=O)C2OC2C(C)CC3OC(=O)C(=C)C31)C)C=CC
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Identifiers
InChI
InChI=1S/C21H26O9/c1-6-7-13(23)29-16-14-10(3)20(25)28-12(14)8-9(2)15-17(30-15)18(24)21(5,26)19(16)27-11(4)22/h6-7,9,12,14-17,19,26H,3,8H2,1-2,4-5H3
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InChIKey
WNDZOMQRKSAZFN-UHFFFAOYSA-N
0 references
PubChem CID
163066555
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WNDZOMQRKSAZFN-UHFFFAOYSA-N
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