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(Q104993112)
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English
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-
group of stereoisomers with the chemical formula C₁₈H₂₃NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
macrolides
1 reference
inferred from
macrolides
mass
333.157622836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₃NO₅
0 references
canonical SMILES
O=C1OC2CCN3CC=C(COC(=O)C(O)(C(=C)CC1=CC)C)C32
0 references
found in taxon
Adenostyles alliariae
1 reference
stated in
On terpenes. CC. The structure of adenostylone, isoadenostylone and neoadenostylone - components of the rhizomes of Adenostyles alliariae (GOUAN) KERN.
Adenostyles glabra
1 reference
stated in
On terpenes. CC. The structure of adenostylone, isoadenostylone and neoadenostylone - components of the rhizomes of Adenostyles alliariae (GOUAN) KERN.
Senecio vulgaris
4 references
stated in
ALKALOIDS OF NEW ZEALAND SENECIO SPECIES. II. SENKIRKINE
stated in
THE ALKALOIDS OF SENECIO SPECIES: IV. ERECHTITES HIERACIFOLIA (L.) RAF.
stated in
Spartioidine and Usaramine, Two Pyrrolizidine Alkaloids from Senecio vulgaris
stated in
Alkaloids from Senecio aquaticus
Senecio flaccidus var. flaccidus
2 references
stated in
Senecio Alkaloids: α- and β-Longilobine fromSenecio longilobus
stated in
THE ALKALOIDS OF SENECIO SPECIES: IV. ERECHTITES HIERACIFOLIA (L.) RAF.
Caucasalia macrophylla
1 reference
stated in
Über Senecio-Alkaloide, I. Mitteil.: Die Alkaloide von Senecio platyphyllus D. C.
Jacobaea vulgaris
1 reference
stated in
The Alkaloids of Senecio jacobaea L.
Identifiers
InChI
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3
0 references
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
0 references
PubChem CID
521227
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
181715
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
65516961
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML82160
1 reference
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML82162
1 reference
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310585
1 reference
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00779
1 reference
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00790
1 reference
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Washington_State_Univ-BML00801
1 reference
InChIKey
FCEVNJIUIMLVML-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0258231
1 reference
based on heuristic
inferred from InChIKey
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