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(Q104196002)
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English
3-[(1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
group of stereoisomers with the chemical formula C₂₂H₃₁NO₄
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolidine alkaloid
1 reference
inferred from
pyrrolidine alkaloid
mass
373.225308472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₁NO₄
0 references
canonical SMILES
O=C1C(C(=O)C(N1C)CO)=C(O)C2(C)C(C=CC)C=CC3CC(C)CCC32
0 references
found in taxon
Equisetum arvense
1 reference
stated in
Naringenin, dihydrokaempferol, and dihydroquercetin from Equisetum arvense
Identifiers
InChI
InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3
0 references
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
0 references
PubChem CID
57347512
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
ChEBI ID
201523
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3
UniChem compound ID
56467371
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-HBM4EU-HB003039
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003041
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003042
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003043
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003044
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003045
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003048
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003050
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003564
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003565
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003568
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003570
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003572
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003573
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003574
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003575
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003040
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003046
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003049
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003566
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003567
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003571
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003047
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003569
1 reference
InChIKey
QNQBPPQLRODXET-UHFFFAOYSA-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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