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(Q67879839)
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dihydroaplotaxene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic aliphatic hydrocarbon
0 references
mass
234.23475096
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₃₀
0 references
canonical SMILES
C=CCCCCCC=CCC=CCCCCC
0 references
isomeric SMILES
CCCCC/C=C\C/C=C\CCCCCC=C
0 references
found in taxon
Cirsium helenioides
1 reference
stated in
Aplotaxene derivatives from Cirsium helenioides
Arctium lappa
1 reference
stated in
Volatile constituents of Arctium lappa Linn.
Cirsium dipsacolepis
1 reference
stated in
Eight aliphatic aldehydes from Cirsium dipsacolepis and their stereoselective synthesis
Helenium autumnale
1 reference
stated in
ChemInform Abstract: Novel Bissesquiterpene Lactones from Helenium autumnale L.
Cirsium japonicum
1 reference
stated in
Hydrocarbons from Cirsium japonicum
Identifiers
InChI
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3/b14-12-,17-15-
0 references
InChIKey
XFZBIINLEPBMDY-NERFDCTISA-N
0 references
CAS Registry Number
56134-03-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5352709
1 reference
matched by identifier from
InChIKey
InChIKey
XFZBIINLEPBMDY-NERFDCTISA-N
ChEBI ID
230389
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,12,14-15,17H,1,4-11,13,16H2,2H3/b14-12-,17-15-
UniChem compound ID
53940883
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101015918
1 reference
matched by identifier from
InChIKey
InChIKey
XFZBIINLEPBMDY-NERFDCTISA-N
Human Metabolome Database ID
HMDB0302479
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XFZBIINLEPBMDY-NERFDCTISA-N
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