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(Q82274781)
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English
Filiforminol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4-Bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl)methanol
1 reference
based on heuristic
inferred from SMILES
mass
310.056841948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,9S,12R)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol
1 reference
based on heuristic
inferred from InChI
[(1S,9R,12S)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₉BrO₂
0 references
canonical SMILES
BrC1=CC2=C(OC3(CO)CCC2(C)C3C)C=C1C
0 references
isomeric SMILES
C[C@H]1[C@]2(CC[C@@]1(OC3=C2C=C(C(=C3)C)Br)CO)C
0 references
found in taxon
Hypnea pannosa
1 reference
stated in
Brominated sesquiterpene metabolites of Hypnea pannosa (Gigartinales, Rhodophyta)
Identifiers
InChI
InChI=1S/C15H19BrO2/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10,17H,4-5,8H2,1-3H3/t10-,14+,15+/m0/s1
0 references
InChIKey
HEDUCRHYGUKWLO-COLVAYQJSA-N
0 references
CAS Registry Number
62311-76-6
0 references
PubChem CID
11056026
1 reference
matched by identifier from
InChIKey
InChIKey
HEDUCRHYGUKWLO-COLVAYQJSA-N
ChEBI ID
134193
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H19BrO2/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10,17H,4-5,8H2,1-3H3/t10-,14+,15+/m0/s1
UniChem compound ID
32319779
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10453604
1 reference
matched by identifier from
InChIKey
InChIKey
HEDUCRHYGUKWLO-COLVAYQJSA-N
DSSTOX compound identifier
DTXCID00404423
0 references
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