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(Q104200480)
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English
3-Hydroxy-3-methyl-5-[4-(1,2,2-trimethyl-4-oxocyclopentyl)benzoyl]oxypentanoic acid
group of stereoisomers with the chemical formula C₂₁H₂₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
cuparane sesquiterpenoid
1 reference
inferred from
cuparane sesquiterpenoid
mass
376.188588616
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₆
0 references
canonical SMILES
O=C(OCCC(O)(C)CC(=O)O)C1=CC=C(C=C1)C2(C)CC(=O)CC2(C)C
0 references
found in taxon
Psilocybe
1 reference
stated in
Deconins A-E: Cuparenic and Mevalonic or Propionic Acid Conjugates from the Basidiomycete Deconica sp. 471.
Agaricus
1 reference
stated in
Deconins A-E: Cuparenic and Mevalonic or Propionic Acid Conjugates from the Basidiomycete Deconica sp. 471.
Identifiers
InChI
InChI=1S/C21H28O6/c1-19(2)11-16(22)12-21(19,4)15-7-5-14(6-8-15)18(25)27-10-9-20(3,26)13-17(23)24/h5-8,26H,9-13H2,1-4H3,(H,23,24)
0 references
InChIKey
WOXSROLDXSRULX-UHFFFAOYSA-N
0 references
PubChem CID
162963377
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WOXSROLDXSRULX-UHFFFAOYSA-N
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