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(Q105270288)
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English
(6R,7S)-7-Isothiocyanato-7,8-dihydro-alpha-bisabolene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
axinythiocyanate A
1 reference
based on heuristic
inferred from SMILES
mass
263.1707708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₅NS
0 references
canonical SMILES
S=C=NC(C)(CCC=C(C)C)C1CC=C(C)CC1
0 references
isomeric SMILES
CC(C)=CCC[C@](C)(N=C=S)[C@H]1CC=C(C)CC1
0 references
found in taxon
Acanthella cavernosa
2 references
stated in
A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.
stated in
A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.
Identifiers
InChI
InChI=1S/C16H25NS/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,15H,5,8-11H2,1-4H3/t15-,16-/m0/s1
0 references
InChIKey
UDBGTQYSPVXTKN-HOTGVXAUSA-N
0 references
PubChem CID
23425791
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UDBGTQYSPVXTKN-HOTGVXAUSA-N
UniChem compound ID
45725697
1 reference
stated in
UniChem
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