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(Q81976567)
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English
ambroxide
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
236.214015516
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₈O
0 references
canonical SMILES
O1CCC2C1(C)CCC3C(C)(C)CCCC23C
0 references
Identifiers
InChI
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
0 references
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
0 references
CAS Registry Number
3738-00-9
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3738-00-9
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
PubChem CID
107166
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
ChEBI ID
171882
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
SureChEMBL ID
SCHEMBL236500
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
UniChem compound ID
26989876
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID2048119
1 reference
matched by identifier from
InChIKey
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9028091
0 references
FL number
13.072
1 reference
quotation
CAS no.: 3738-00-9
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
13.072
Human Metabolome Database ID
HMDB0036831
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
JECFA number
1240
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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