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(Q82913734)
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English
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
200.083729624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂O₂
0 references
canonical SMILES
C(C#CC)#CC=C1OC2(OCCC2)C=C1
0 references
found in taxon
Dendranthema zawadskii
1 reference
stated in
Dendrazawaynes A and B, antifungal polyacetylenes from Dendranthema zawadskii (Asteraceae).
Artemisia granatensis
1 reference
stated in
Terpenes and polyacetylenes from cultivated Artemisia granatensis boiss (Royal chamomile) and their defensive properties.
Identifiers
InChI
InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3
0 references
InChIKey
WTRXKCNFPMTAJV-UHFFFAOYSA-N
0 references
CAS Registry Number
16863-61-9
1 reference
InChIKey
WTRXKCNFPMTAJV-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=16863-61-9
PubChem CID
103031
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTRXKCNFPMTAJV-UHFFFAOYSA-N
ChEBI ID
228966
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3
UniChem compound ID
66017624
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90937513
1 reference
matched by identifier from
InChIKey
InChIKey
WTRXKCNFPMTAJV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601366075
0 references
Human Metabolome Database ID
HMDB0302506
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTRXKCNFPMTAJV-UHFFFAOYSA-N
KNApSAcK ID
C00061971
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTRXKCNFPMTAJV-UHFFFAOYSA-N
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