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(Q105174790)
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Asparenyol
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[5-(4-Methoxyphenoxy)pent-3-en-1-yn-1-yl]phenol
1 reference
based on heuristic
inferred from InChIKey
mass
280.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₆O₃
0 references
canonical SMILES
OC1=CC=C(C#CC=CCOC2=CC=C(OC)C=C2)C=C1
0 references
isomeric SMILES
COc1ccc(OC/C=C\C#Cc2ccc(O)cc2)cc1
1 reference
based on heuristic
inferred from InChI
found in taxon
asparagus
1 reference
stated in
H-NMR and mass spectral study of a D-enriched acetylenic norlignan, asparenyol, from cultured cells of Asparagus officinalis
Identifiers
InChI
InChI=1S/C18H16O3/c1-20-17-10-12-18(13-11-17)21-14-4-2-3-5-15-6-8-16(19)9-7-15/h2,4,6-13,19H,14H2,1H3/b4-2-
0 references
InChIKey
MYCBDFJVVJREPO-RQOWECAXSA-N
0 references
PubChem CID
131753100
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MYCBDFJVVJREPO-RQOWECAXSA-N
ChEBI ID
174667
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H16O3/c1-20-17-10-12-18(13-11-17)21-14-4-2-3-5-15-6-8-16(19)9-7-15/h2,4,6-13,19H,14H2,1H3/b4-2-
UniChem compound ID
31997822
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0041304
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MYCBDFJVVJREPO-RQOWECAXSA-N
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