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(Q76423792)
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English
(7E,9E)-heptadeca-1,7,9-trien-11,13,15-triyne
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic aliphatic hydrocarbon
0 references
mass
222.140850576
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₈
0 references
canonical SMILES
C(#CC#CC)C#CC=CC=CCCCCC=C
0 references
isomeric SMILES
CC#CC#CC#C/C=C/C=C/CCCCC=C
0 references
found in taxon
Artemisia vulgaris
1 reference
stated in
Polyacetylenverbindungen, CXXXII. Die Inhaltsstoffe ausArtemisia selengensis auct.
Artemisia vulgaris var. vulgaris
1 reference
stated in
Polyacetylenverbindungen, CXXXII. Die Inhaltsstoffe ausArtemisia selengensis auct.
Centaurea diluta
1 reference
stated in
Polyacetylenverbindungen, CXVII. Neue Polyine der GattungCentaurea L.
Centaurea montana
1 reference
stated in
Acetylenes and other constituents from Centaurea species
Leucanthemum vulgare
1 reference
stated in
Polyacetylenes from Chrysanthemum leucanthemum
Jacobaea vulgaris
1 reference
stated in
Polyacetylenes of Senecio jacobaea
Solidago nemoralis
1 reference
stated in
Sesquiterpene and diterpene derivatives from Solidago species
Identifiers
InChI
InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+
0 references
InChIKey
LEQCZKIMKYGCIQ-TZSXFDEBSA-N
0 references
CAS Registry Number
41688-30-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14409592
1 reference
matched by identifier from
InChIKey
InChIKey
LEQCZKIMKYGCIQ-TZSXFDEBSA-N
ChEBI ID
230139
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+
UniChem compound ID
32014942
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601253664
1 reference
matched by identifier from
InChIKey
InChIKey
LEQCZKIMKYGCIQ-TZSXFDEBSA-N
Human Metabolome Database ID
HMDB0031260
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LEQCZKIMKYGCIQ-TZSXFDEBSA-N
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