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(Q83035092)
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English
Kneglomeratanone A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
340.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈O₃
0 references
canonical SMILES
CC(=O)C1=C(C=C(C=C1O)O)CCCCCCCCC2=CC=CC=C2
0 references
found in taxon
Knema glomerata
2 references
stated in
Kneglomeratanol, kneglomeratanones A and B, and related bioactive compounds from Knema glomerata
stated in
Kneglomeratanol, kneglomeratanones A and B, and related bioactive compounds from Knema glomerata
Identifiers
InChI
InChI=1S/C22H28O3/c1-17(23)22-19(15-20(24)16-21(22)25)14-10-5-3-2-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,15-16,24-25H,2-5,7,10-11,14H2,1H3
0 references
InChIKey
IMXQBUNJVMBJFG-UHFFFAOYSA-N
0 references
CAS Registry Number
155233-37-7
0 references
PubChem CID
196946
1 reference
matched by identifier from
InChIKey
InChIKey
IMXQBUNJVMBJFG-UHFFFAOYSA-N
UniChem compound ID
353334
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20165862
1 reference
matched by identifier from
InChIKey
InChIKey
IMXQBUNJVMBJFG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID8088353
0 references
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