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(Q76506937)
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English
Macrophyllic acid A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(4a,8-dimethyl-2,3,4,5,6,7-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
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C(O)C=CC1CC2=C(C)CCCC2(C)CC1
0 references
isomeric SMILES
CC1=C2C[C@@H](CC[C@]2(CCC1)C)/C=C/C(=O)O
0 references
found in taxon
Inula macrophylla
3 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
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/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1
0 references
InChIKey
CFUISBDJXHZKJK-OBLPCYNLSA-N
0 references
PubChem CID
15886996
1 reference
matched by identifier from
InChIKey
InChIKey
CFUISBDJXHZKJK-OBLPCYNLSA-N
ChEBI ID
196153
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1
UniChem compound ID
43653045
1 reference
stated in
UniChem
LIPID MAPS ID
LMPR0103320001
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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