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(Q83075367)
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English
Bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, acetate, (1alpha,3beta,5alpha)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
thujane monoterpenoid
0 references
mass
194.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
trans-sabinyl acetate
1 reference
based on heuristic
inferred from InChI
(1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₈O₂
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canonical SMILES
O=C(OC1C(=C)C2CC2(C1)C(C)C)C
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isomeric SMILES
CC(C)[C@@]12C[C@@H]1C(=C)[C@@H](C2)OC(=O)C
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found in taxon
Ursinia eckloniana
1 reference
stated in
Sesquiterpene lactones and other constituents from Ursinia species
Achillea millefolium
1 reference
stated in
Phytochemical analysis of the essential oil of Achillea millefolium L. from various European Countries
Identifiers
InChI
InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11-,12+/m1/s1
0 references
InChIKey
PBWRFXQNNGSAQG-UTUOFQBUSA-N
0 references
CAS Registry Number
53833-85-5
0 references
PubChem CID
135251
1 reference
matched by identifier from
InChIKey
InChIKey
PBWRFXQNNGSAQG-UTUOFQBUSA-N
SureChEMBL ID
SCHEMBL829294
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBWRFXQNNGSAQG-UTUOFQBUSA-N
UniChem compound ID
52308876
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90202112
1 reference
matched by identifier from
InChIKey
InChIKey
PBWRFXQNNGSAQG-UTUOFQBUSA-N
DSSTOX compound identifier
DTXCID90124603
0 references
KNApSAcK ID
C00058715
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PBWRFXQNNGSAQG-UTUOFQBUSA-N
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