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(Q104998099)
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English
NCGC00169769-02_C15H22O2_2-Naphthaleneacetic acid, 1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-alpha-methylene-, (2R,8S,8aR)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(2S,8S,8aR)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C(O)C(=C)C1CC=C2CCCC(C)C2(C)C1
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isomeric SMILES
C=C(C(=O)O)[C@@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1
0 references
found in taxon
Artemisia pectinata
1 reference
stated in
Co-occurrence of eremophilanes and eudesmanes in Artemisia pectinata
Stevia achalensis
1 reference
stated in
Neue Sesquiterpenlactone und andere Inhaltsstoffe ausStevia mercedensis undStevia achalensis
Neopallasia pectinata
1 reference
stated in
Co-occurrence of eremophilanes and eudesmanes in Artemisia pectinata
Identifiers
InChI
InChI=1S/C15H22O2/c1-10-5-4-6-13-8-7-12(9-15(10,13)3)11(2)14(16)17/h8,10,12H,2,4-7,9H2,1,3H3,(H,16,17)/t10-,12+,15+/m0/s1
0 references
InChIKey
FMWJHXDPCQWVEJ-JVLSTEMRSA-N
0 references
PubChem CID
23786282
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FMWJHXDPCQWVEJ-JVLSTEMRSA-N
UniChem compound ID
23883243
1 reference
stated in
UniChem
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