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(Q105352471)
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Isoaplysin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
laurane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
294.061927328
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₉BrO
0 references
canonical SMILES
BrCC12OC3=CC(=CC=C3C2(C)CCC1C)C
0 references
isomeric SMILES
Cc1ccc2c(c1)O[C@@]1(CBr)[C@@H](C)CC[C@@]21C
0 references
found in taxon
Laurencia okamurae
2 references
stated in
DEOXYOKAMURALLENE AND ISOOKAMURALLENE, NEW HALOGENATED NONTERPENOID C15-COMPOUNDS FROM THE RED ALGALAURENCIA OKAMURAIYAMADA
stated in
The Structure of Isoaplysin, a Brominated Rearranged Cuparane-Type Sesquiterpenoid from the Red AlgaLaurencia okamuraiYamada
Identifiers
InChI
InChI=1S/C15H19BrO/c1-10-4-5-12-13(8-10)17-15(9-16)11(2)6-7-14(12,15)3/h4-5,8,11H,6-7,9H2,1-3H3/t11-,14-,15-/m0/s1
0 references
InChIKey
YQQJZGHNUOBYEG-CQDKDKBSSA-N
0 references
PubChem CID
11822545
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34423200
1 reference
stated in
UniChem
NMRShiftDB structure ID
20182019
1 reference
matched by identifier from
InChIKey
InChIKey
YQQJZGHNUOBYEG-CQDKDKBSSA-N
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