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(Q105163080)
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Estafietin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1S,2S,10S,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
1 reference
based on heuristic
inferred from SMILES
Estafiatin
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,6S,10S,12R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
1 reference
based on heuristic
inferred from InChI
(1S,2S,6S,10R,12S,14R)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC(=C)C3CC4OC4(C)C23
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H]3O[C@@]3(C)[C@H]21
0 references
found in taxon
Artemisia mexicana
1 reference
stated in
Estafiatin, a new sesquiterpene lactone isolated from Artemisia mexicana (Willd)
Eriocephalus kingesii
1 reference
stated in
Sesquiterpene lactones and other constituents from Eriocephalus species
Achillea nobilis
1 reference
stated in
A chemical investigation ofAchillea nobilis
Frullanoides densifolia
1 reference
stated in
Terpenoids of the liverwort Frullanoides densifolia and Trocholejeunea sandvicensis
Stevia grisebachiana
1 reference
stated in
Guaianolides and germacranolides from Stevia grisebachiana
Artemisia feddei
1 reference
stated in
Sesquiterpene Lactones and Other Constituents from Artemisia feddei
Artemisia lancea
1 reference
stated in
Sesquiterpene Lactones and Other Constituents from Artemisia feddei
Achillea millefolium
1 reference
stated in
Sesquiterpene lactones from Achillea millefolium
Stevia alpina
1 reference
stated in
Guaianolides, heliangolides and other constituents from Stevia alpina
Stevia yaconensis
1 reference
stated in
The first 12.8β-germacrolide and other constituents from bolivian Stevia species
Achillea aspleniifolia
1 reference
stated in
Sesquiterpene lactones from Achillea millefolium
Achillea virescens
1 reference
stated in
Sesquiterpene lactones from Achillea millefolium
Artemisia klotzschiana
1 reference
stated in
Estafiatin, a new sesquiterpene lactone isolated from Artemisia mexicana (Willd)
Identifiers
InChI
InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9-13H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13-,15+/m0/s1
0 references
InChIKey
MFXYIKGJSJSAJT-MRWSCNBVSA-N
0 references
PubChem CID
11118339
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFXYIKGJSJSAJT-MRWSCNBVSA-N
UniChem compound ID
5946819
1 reference
stated in
UniChem
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