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(Q105369874)
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English
Chinzallene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
403.962268636
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈Br₂O₃
0 references
canonical SMILES
BrC=C=CC1OC2C(Br)C3(OC(CC)C4CC43)OC2C1
0 references
isomeric SMILES
CC[C@@H]1O[C@@]2(O[C@@H]3C[C@@H](C=C=CBr)O[C@@H]3[C@H]2Br)[C@H]2C[C@@H]12
0 references
found in taxon
Laurencia
1 reference
stated in
Halogenated metabolites from Japanese Laurencia spp.
Identifiers
InChI
InChI=1S/C15H18Br2O3/c1-2-11-9-7-10(9)15(19-11)14(17)13-12(20-15)6-8(18-13)4-3-5-16/h4-5,8-14H,2,6-7H2,1H3/t3?,8-,9-,10+,11+,12-,13+,14-,15-/m1/s1
0 references
InChIKey
ZAHUKZPZPAOXTK-AWVLBQFQSA-N
0 references
PubChem CID
21574510
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
51163020
1 reference
stated in
UniChem
NMRShiftDB structure ID
20181698
1 reference
matched by identifier from
InChIKey
InChIKey
ZAHUKZPZPAOXTK-AWVLBQFQSA-N
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