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(Q106029718)
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English
spartioidine N-oxide
chemical compound
(3E,6R,14aR,14bR)-3-ethylidene-6-hydroxy-6-methyl-5-methylidene-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12lambda(5)-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
(1R,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
1 reference
based on heuristic
inferred from SMILES
mass
349.152537456
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₃NO₆
0 references
canonical SMILES
O=C1OC2CC[N+]3([O-])CC=C(COC(=O)C(O)(C(=C)CC1=CC)C)C23
0 references
isomeric SMILES
C=C1C/C(=C\C)C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@]1(C)O)[C@H]23
0 references
found in taxon
Jacobaea persoonii
1 reference
stated in
Pyrrolizidine alkaloids from Senecio persoonii
Identifiers
InChI
InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-,19?/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
6442619
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
ChEBI ID
136427
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-,19?/m1/s1
UniChem compound ID
57188347
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-NaToxAq-NA002364
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002365
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002366
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002367
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002759
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002761
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002763
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003140
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003142
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003504
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003507
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003508
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002762
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003139
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003143
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003505
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003506
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002760
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA002368
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-NaToxAq-NA003141
1 reference
InChIKey
COHUFMBRBUPZPA-HPHFTHPTSA-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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