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(Q105230090)
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Germacrone-13-al
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
0 references
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=CC(=C1C(=O)CC(=CCCC(=CC1)C)C)C
0 references
isomeric SMILES
C/C1=C\C/C(=C(/C)C=O)C(=O)C/C(C)=C/CC1
1 reference
based on heuristic
inferred from InChI
found in taxon
Curculolo
3 references
stated in
Structures of sesquiterpenes from Curcuma longa
stated in
Structures of sesquiterpenes from Curcuma longa
stated in
Liquid chromatography–electrospray mass spectrometric analysis of curcuminoids and sesquiterpenoids in turmeric (Curcuma longa)
Identifiers
InChI
InChI=1S/C15H20O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+,14-13+
0 references
InChIKey
QYFIJPMUVNMVMC-UPXYLJBOSA-N
0 references
CAS Registry Number
129673-85-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14633002
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QYFIJPMUVNMVMC-UPXYLJBOSA-N
ChEBI ID
180837
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+,14-13+
UniChem compound ID
153729985
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201150252
1 reference
matched by identifier from
InChIKey
InChIKey
QYFIJPMUVNMVMC-UPXYLJBOSA-N
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