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(Q115950833)
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English
(1R,2S,4Z,9S)-2-hydroxy-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-4-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
caryophyllane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Lychnopholic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2S,4Z,9R)-2-hydroxy-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-4-carboxylic acid
1 reference
based on heuristic
inferred from InChI
(1S,2R,4E,9R)-2-hydroxy-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-4-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C(O)C1=CCCC(=C)C2CC(C)(C)C2C(O)C1
0 references
isomeric SMILES
C=C1CC/C=C(\C(=O)O)C[C@H](O)[C@@H]2[C@@H]1CC2(C)C
0 references
found in taxon
Lychnophora ericoides
1 reference
stated in
Antitumor plants. 8. Lychnopholic acid, a novel trioxygenated caryophyllene derivative from Lychnophora affinis Gardn
Lychnophora pinaster
1 reference
stated in
Antitumor plants. 8. Lychnopholic acid, a novel trioxygenated caryophyllene derivative from Lychnophora affinis Gardn
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-5-4-6-10(14(17)18)7-12(16)13-11(9)8-15(13,2)3/h6,11-13,16H,1,4-5,7-8H2,2-3H3,(H,17,18)/b10-6-/t11-,12+,13+/m1/s1
0 references
InChIKey
LMJMJHGFJXZGDE-JUESFEPVSA-N
0 references
PubChem CID
38359287
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LMJMJHGFJXZGDE-JUESFEPVSA-N
UniChem compound ID
50880917
1 reference
stated in
UniChem
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