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(Q72497928)
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English
Orange Oil
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
farnesane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
NA
0 references
canonical SMILES
C=CC(=C)CC/C=C(\C)CC/C=C(/C)C=O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C=CC(=C)CC/C=C(\C)CC/C=C(/C)C=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11-
0 references
InChIKey
NOPLRNXKHZRXHT-PVMFERMNSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
8028-48-6
0 references
PubChem CID
24976875
1 reference
matched by identifier from
InChIKey
InChIKey
NOPLRNXKHZRXHT-PVMFERMNSA-N
ZVG number
123009
0 references
DSSTox substance ID
DTXSID1047730
0 references
EC number
232-433-8
0 references
CosIng number
32880
1 reference
stated in
CosIng database
CosIng number
32880
retrieved
28 December 2019
title
CITRUS AURANTIUM DULCIS FLOWER EXTRACT
(English)
quotation
CAS no.: 8028-48-6
(English)
AICS Chemical ID (BEING DELETED)
10211
0 references
UNII
S4Z3G4YKHH
1 reference
matched by identifier from
InChIKey
InChIKey
NOPLRNXKHZRXHT-PVMFERMNSA-N
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