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(Q105250625)
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Hydroperoxyacetoxycrenulide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[8-(6-Hydroperoxy-6-methylhept-4-en-2-yl)-5-methyl-12-oxo-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-7-yl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
392.219888744
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₆
0 references
canonical SMILES
O=C1OCC2=C1C3CC3C(C)CC(OC(=O)C)C2C(C)CC=CC(OO)(C)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@H](C)C/C=C/C(C)(C)OO
0 references
found in taxon
Dictyota dichotoma
1 reference
stated in
Diterpenoid Hydroperoxides from the Far-Eastern Brown Alga Dictyota dichotoma
Identifiers
InChI
InChI=1S/C22H32O6/c1-12(7-6-8-22(4,5)28-25)19-17-11-26-21(24)20(17)16-10-15(16)13(2)9-18(19)27-14(3)23/h6,8,12-13,15-16,18-19,25H,7,9-11H2,1-5H3/b8-6+/t12-,13-,15+,16+,18-,19+/m1/s1
0 references
InChIKey
SDGDVGLXQFITGK-LSEVXLOGSA-N
0 references
PubChem CID
102418759
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96807334
1 reference
stated in
UniChem
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