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(Q115947989)
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English
beta-Caryophyllene alcohol acetate
group of stereoisomers with the chemical formula C₁₇H₂₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
264.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₈O₂
0 references
canonical SMILES
O=C(OC12CCCC(C)(CCC3C1CC3(C)C)C2)C
0 references
found in taxon
Myrtus communis
1 reference
stated in
Myrtus communis Berry Color Morphs: A Comparative Analysis of Essential Oils, Fatty Acids, Phenolic Compounds, and Antioxidant Activities
Identifiers
InChI
InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3
0 references
InChIKey
SJDDHMSVZMBJPH-UHFFFAOYSA-N
0 references
PubChem CID
62127
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SJDDHMSVZMBJPH-UHFFFAOYSA-N
ChEBI ID
173884
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3
UniChem compound ID
32015818
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037273
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SJDDHMSVZMBJPH-UHFFFAOYSA-N
KNApSAcK ID
C00062246
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SJDDHMSVZMBJPH-UHFFFAOYSA-N
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