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(Q82663914)
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English
Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octa-1,3-diene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic aliphatic hydrocarbon
0 references
mass
100.031300128
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₄
0 references
canonical SMILES
C1=2C3=C4C1C5C2C3C45
0 references
found in taxon
Juniperus oxycedrus
1 reference
stated in
Oxygenated sesquiterpenes from the wood of Juniperus oxycedrus
Abies pinsapo
1 reference
stated in
Terpenoids and sterols from the wood of Abies pinsapo
Tagetes lucida
1 reference
stated in
Constituents of Tagetes lucida Cav. ssp.lucida Essential Oil
Heteroscyphus planus
1 reference
stated in
Biosynthesis of (+)-cubenene and (+)-epicubenol by cell-free extracts of cultured cells of Heteroscyphus planus and cyclization of [2H]farnesyl diphosphates
clove
1 reference
stated in
Volatile components of clove essential oil (Eugenia caryophyllus SPRENG): Neutral fraction.
Identifiers
InChI
InChI=1S/C8H4/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-3,6H
0 references
InChIKey
KWFAQPWLROZBAY-UHFFFAOYSA-N
0 references
CAS Registry Number
29837-12-5
0 references
PubChem CID
57357909
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KWFAQPWLROZBAY-UHFFFAOYSA-N
UniChem compound ID
48393479
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70723931
1 reference
matched by identifier from
InChIKey
InChIKey
KWFAQPWLROZBAY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70674676
0 references
Human Metabolome Database ID
HMDB0303897
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KWFAQPWLROZBAY-UHFFFAOYSA-N
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