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(Q105193735)
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Macrophyllic acid C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(8a-hydroxy-4a-methyl-8-methylidene-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Macrophyllic acid B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C(O)C=CC1CCC2(C)CCCC(=C)C2(O)C1
0 references
isomeric SMILES
C=C1CCC[C@]2(C)CC[C@@H](/C=C/C(=O)O)C[C@@]12O
0 references
found in taxon
Inula macrophylla
4 references
stated in
Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.
stated in
The structures and absolute configurations of macrophyllic acids A–E, five new rearranged eudesmane sesquiterpene acids from the bark of Inula macrophylla
stated in
Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.
stated in
The structures and absolute configurations of macrophyllic acids A–E, five new rearranged eudesmane sesquiterpene acids from the bark of Inula macrophylla
Inula grandis
2 references
stated in
The structures and absolute configurations of macrophyllic acids A–E, five new rearranged eudesmane sesquiterpene acids from the bark of Inula macrophylla
stated in
Sesquiterpenes and monoterpenes from the bark of Inula macrophylla.
Identifiers
InChI
InChI=1S/C15H22O3/c1-11-4-3-8-14(2)9-7-12(5-6-13(16)17)10-15(11,14)18/h5-6,12,18H,1,3-4,7-10H2,2H3,(H,16,17)/b6-5+/t12-,14-,15-/m1/s1
0 references
InChIKey
OKSWDWBXHMOVCG-CGQSYGMKSA-N
0 references
PubChem CID
15886998
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OKSWDWBXHMOVCG-CGQSYGMKSA-N
UniChem compound ID
53767425
1 reference
stated in
UniChem
NMRShiftDB structure ID
88411
1 reference
matched by identifier from
InChIKey
InChIKey
OKSWDWBXHMOVCG-CGQSYGMKSA-N
LIPID MAPS ID
LMPR01030048
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 January 2022
InChIKey
OKSWDWBXHMOVCG-CGQSYGMKSA-N
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