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(Q105182709)
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English
(Z)-erucifoline
chemical compound
(5R,7S,9Z,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
macrolides
0 references
pyrrolizidine alkaloid
0 references
mass
349.152537456
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5S,7R,9Z,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-erucifoline
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(12xi,13xi)-12,13-Epoxy-19-hydroxysenecionan-11,16-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₃NO₆
0 references
canonical SMILES
CC=C1CC2(C(O2)(C(=O)OCC3=CCN4C3C(CC4)OC1=O)C)CO
1 reference
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
isomeric SMILES
C/C=C\1/C[C@@]2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO
1 reference
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
found in taxon
Jacobaea boissieri
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Senecio aquaticus
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Senecio chrysanthemoides
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Senecio alcicornis
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Jacobaea aquatica
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Jacobaea minuta
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Jacobaea persoonii
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Jacobaea gnaphalioides
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Jacobaea vulgaris
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Identifiers
InChI
InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18+/m1/s1
1 reference
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
1 reference
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
CAS Registry Number
40158-95-0
1 reference
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
PubChem CID
76308652
2 references
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
matched by identifier from
InChIKey
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
ChEBI ID
136462
mapping relation type
exact match
3 references
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18+/m1/s1
ChEMBL ID
CHEMBL2269158
1 reference
stated in
PubChem
retrieved
2 March 2021
title
Erucifoline
(English)
PubChem CID
76308652
UniChem compound ID
79979577
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-NaToxAq-NA002449
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002450
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002452
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002844
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002845
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002846
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002847
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002848
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003224
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003225
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003226
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003227
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003228
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003589
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003591
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003593
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002451
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002453
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003590
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003592
1 reference
InChIKey
NOQVBHHOUTTZGE-LUZNJDLOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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