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(Q105162718)
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Neo-laurallene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 5257630
1 reference
based on heuristic
inferred from SMILES
CID 163185403
1 reference
based on heuristic
inferred from SMILES
mass
389.98300408
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CID 162987675
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Isolaurallene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
AC1LCSGZ
1 reference
based on heuristic
inferred from InChI
CID 163193892
1 reference
based on heuristic
inferred from InChI
CID 162987677
1 reference
based on heuristic
inferred from InChI
CID 162987676
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀Br₂O₂
0 references
canonical SMILES
BrC=C=CC1OC2CC=CCC(Br)C(OC2C1)CC
0 references
isomeric SMILES
CC[C@H]1O[C@@H]2C[C@@H](C=C=CBr)O[C@@H]2C/C=C\C[C@@H]1Br
0 references
found in taxon
Laurencia intricata
3 references
stated in
Structure revision of okamurallene and structure elucidation of further C15 non-terpenoid bromoallenes from Laurencia intricata
stated in
Tropical Marine Algae. IV. Novel Metabolites From the Red Alga Laurencia implicata (Rhodophyta, Rhodophyceae, Ceramiales, Rhodomelaceae)
stated in
New Sesquiterpenes and C15Acetogenins from the Marine Red Alga Laurencia implicata
Laurencia okamurae
1 reference
stated in
NEOLAURALLENE, A NEW HALOGENATED C-15 NONTERPENOID FROM THE RED ALGALAURENCIA OKAMURAIYAMADA
Identifiers
InChI
InChI=1S/C15H20Br2O2/c1-2-13-12(17)7-3-4-8-14-15(19-13)10-11(18-14)6-5-9-16/h3-4,6,9,11-15H,2,7-8,10H2,1H3/b4-3-/t5?,11-,12+,13-,14-,15-/m1/s1
0 references
InChIKey
MFIOGNKPHIMUQN-YJNXAUKYSA-N
0 references
PubChem CID
14355384
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFIOGNKPHIMUQN-YJNXAUKYSA-N
ChEBI ID
206659
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20Br2O2/c1-2-13-12(17)7-3-4-8-14-15(19-13)10-11(18-14)6-5-9-16/h3-4,6,9,11-15H,2,7-8,10H2,1H3/b4-3-/t5?,11-,12+,13-,14-,15-/m1/s1
UniChem compound ID
53740131
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA017845
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFIOGNKPHIMUQN-YJNXAUKYSA-N
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