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(Q104400594)
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English
Theonellin formamide
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
bisabolanes
0 references
mass
249.209264484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₇NO
0 references
canonical SMILES
CC(=CC=CC(C)C)C1CCC(C)(NC=O)CC1
0 references
isomeric SMILES
C/C(=C\C=C\C(C)C)C1CCC(C)(NC=O)CC1
1 reference
based on heuristic
inferred from InChI
found in taxon
Phycopsis
1 reference
stated in
Chemical examination of the Sponge Phycopsis sp.
Theonella swinhoei
2 references
stated in
Novel bisabolene-type sesquiterpenoids with a conjugated diene isolated from the okinawan sea sponge theonella cf. swinhoei
stated in
Novel bisabolene-type sesquiterpenoids with a conjugated diene isolated from the okinawan sea sponge theonella cf. swinhoei
Seuratia
1 reference
stated in
Chemical examination of the Sponge Phycopsis sp.
Identifiers
InChI
InChI=1S/C16H27NO/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,12-13,15H,8-11H2,1-4H3,(H,17,18)/b6-5+,14-7+
0 references
InChIKey
UTOXGRXZEVOUFE-AVJLEEFCSA-N
0 references
PubChem CID
5387261
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UTOXGRXZEVOUFE-AVJLEEFCSA-N
UniChem compound ID
65519128
1 reference
stated in
UniChem
KNApSAcK ID
C00011920
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UTOXGRXZEVOUFE-AVJLEEFCSA-N
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