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(Q105370928)
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English
4-Nerolidylcatechol
group of stereoisomers with the chemical formula C₂₁H₃₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
farnesane sesquiterpenoid
1 reference
inferred from
farnesane sesquiterpenoid
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
mass
314.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₂
0 references
canonical SMILES
OC1=CC=C(C=C1O)C(C=C)(C)CCC=C(C)CCC=C(C)C
0 references
isomeric SMILES
C=CC(C)(CC/C=C(\C)CCC=C(C)C)c1ccc(O)c(O)c1
0 references
found in taxon
Piper peltatum
1 reference
stated in
Investigation of the larvicidal activity of Pothomorphe peltata and isolation of the active constituent
Piper umbellatum
2 references
stated in
Biosynthetic origins of the isoprene units of 4-nerolidylcatechol in Potomorphe umbellata
stated in
Flavonas, lignanas e terpeno de Piper umbellata (Piperaceae)
Identifiers
InChI
InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+
0 references
InChIKey
ZBZZDHDWRSFLAY-GZTJUZNOSA-N
0 references
PubChem CID
5352089
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZBZZDHDWRSFLAY-GZTJUZNOSA-N
ChEBI ID
174288
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+
SureChEMBL ID
SCHEMBL1962024
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZBZZDHDWRSFLAY-GZTJUZNOSA-N
UniChem compound ID
524449
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0031924
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZBZZDHDWRSFLAY-GZTJUZNOSA-N
KNApSAcK ID
C00057535
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZBZZDHDWRSFLAY-GZTJUZNOSA-N
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