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(Q105259258)
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English
O-Geranylvanillin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
mass
288.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₄O₃
0 references
canonical SMILES
O=CC1=CC=C(OCC=C(C)CCC=C(C)C)C(OC)=C1
0 references
isomeric SMILES
COc1cc(C=O)ccc1OC/C=C(\C)CCC=C(C)C
1 reference
based on heuristic
inferred from InChI
found in taxon
Crithmum maritimum
1 reference
stated in
Bioactive metabolites from Sicilian marine fennel, Crithmum maritimum
Identifiers
InChI
InChI=1S/C18H24O3/c1-14(2)6-5-7-15(3)10-11-21-17-9-8-16(13-19)12-18(17)20-4/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
0 references
InChIKey
SRLAFDUAEAXGBA-XNTDXEJSSA-N
0 references
CAS Registry Number
151455-08-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6444289
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
201049
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501316253
1 reference
matched by identifier from
InChIKey
InChIKey
SRLAFDUAEAXGBA-XNTDXEJSSA-N
Human Metabolome Database ID
HMDB0040864
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SRLAFDUAEAXGBA-XNTDXEJSSA-N
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