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(Q105379730)
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Axisocyanate-3
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
2,6-dimethyl-9-(1-methylethyl)spiro[4.5]decane sesquiterpenoid
0 references
mass
247.19361442
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₅NO
0 references
canonical SMILES
O=C=NC1C(CCC(C)C21C=C(C)CC2)C(C)C
0 references
isomeric SMILES
CC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@@H]2N=C=O
0 references
found in taxon
Acanthella cavernosa
1 reference
stated in
A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.
Identifiers
InChI
InChI=1S/C16H25NO/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m0/s1
0 references
InChIKey
ZMUDPWLQWGWGDJ-FZKCQIBNSA-N
0 references
PubChem CID
22833187
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZMUDPWLQWGWGDJ-FZKCQIBNSA-N
UniChem compound ID
49357341
1 reference
stated in
UniChem
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