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(Q82804974)
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English
(5R,8S)-5-Methyl-8-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Methyl-8-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
300.208930136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₂
0 references
canonical SMILES
O=C(O)C1=CC=C2C(=C1)C(CCC2C)C(C)CCC=C(C)C
0 references
isomeric SMILES
CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2ccc(C(=O)O)cc21
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found in taxon
Eremophila duttonii
1 reference
stated in
Antimicrobial compounds from the Australian desert plant Eremophila neglecta
Eremophila sturtii
1 reference
stated in
Bactericidal and cyclooxygenase inhibitory diterpenes from Eremophila sturtii
Identifiers
InChI
InChI=1S/C20H28O2/c1-13(2)6-5-7-14(3)17-10-8-15(4)18-11-9-16(20(21)22)12-19(17)18/h6,9,11-12,14-15,17H,5,7-8,10H2,1-4H3,(H,21,22)/t14-,15+,17-/m0/s1
0 references
InChIKey
ODZQBEPDXUFJRX-UXLLHSPISA-N
0 references
CAS Registry Number
65122-62-5
0 references
PubChem CID
71401300
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ODZQBEPDXUFJRX-UXLLHSPISA-N
UniChem compound ID
65161926
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10822452
1 reference
matched by identifier from
InChIKey
InChIKey
ODZQBEPDXUFJRX-UXLLHSPISA-N
DSSTOX compound identifier
DTXCID30773194
0 references
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