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(Q105146409)
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English
(2S,5R,10S)-7-Bromo-2,5,8,10-tetramethyl-2,3,4,5-tetrahydro-2,5-methano-1-benzoxepine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-Bromo-1,5,9,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
1 reference
based on heuristic
inferred from SMILES
mass
294.061927328
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
filiformin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₉BrO
0 references
canonical SMILES
BrC=1C=C2C(OC3(C)CCC2(C)C3C)=CC1C
0 references
isomeric SMILES
Cc1cc2c(cc1Br)[C@]1(C)CC[C@](C)(O2)[C@H]1C
0 references
found in taxon
Laurencia dendroidea
1 reference
stated in
New laurene derivatives from Laurencia filiformis
Laurencia filiformis
1 reference
stated in
New laurene derivatives from Laurencia filiformis
Laurencia caduciramulosa
1 reference
stated in
Sesquiterpenes from the introduced red seaweed Laurencia caduciramulosa (Rhodomelaceae, Ceramiales)
Identifiers
InChI
InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)5-6-15(4,17-13)10(14)2/h7-8,10H,5-6H2,1-4H3/t10-,14+,15-/m0/s1
0 references
InChIKey
KUYRIOUUTKXVSM-VQISRLSMSA-N
0 references
PubChem CID
14239672
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KUYRIOUUTKXVSM-VQISRLSMSA-N
UniChem compound ID
51726806
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90557816
1 reference
matched by identifier from
InChIKey
InChIKey
KUYRIOUUTKXVSM-VQISRLSMSA-N
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