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(Q83035094)
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Kneglomeratanone B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
334.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₄O₃
0 references
canonical SMILES
CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)C
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/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(23)16-20(24)21(18)17(2)22/h15-16,23-24H,3-14H2,1-2H3
0 references
InChIKey
LKFIFZHFSPDZEZ-UHFFFAOYSA-N
0 references
CAS Registry Number
155233-38-8
0 references
PubChem CID
196947
1 reference
matched by identifier from
InChIKey
InChIKey
LKFIFZHFSPDZEZ-UHFFFAOYSA-N
UniChem compound ID
542552
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80165863
1 reference
matched by identifier from
InChIKey
InChIKey
LKFIFZHFSPDZEZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3088354
0 references
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