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(Q105009549)
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English
CID 12309935
group of stereoisomers with the chemical formula C₁₈H₂₂N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
ergoline alkaloid
1 reference
inferred from
ergoline alkaloid
mass
298.168127944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂N₂O₂
0 references
canonical SMILES
O=C(OC1C2C=3C=CC=C4NC=C(C43)CC2N(C)CC1C)C
0 references
found in taxon
Aspergillus tamarii
2 references
stated in
398. The isolation of festuclavine and two new clavine alkaloids from Aspergillus fumigatus Fres
stated in
Aspergillus Toxins
Penicillium commune
1 reference
stated in
Penicillium Toxins
Aspergillus fumigatus
1 reference
stated in
Aspergillus Toxins
Identifiers
InChI
InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3
0 references
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
0 references
PubChem CID
12309935
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
UniChem compound ID
32017615
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-HBM4EU-HB003134
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003138
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003638
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003639
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003641
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003642
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003137
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003640
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003135
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003136
1 reference
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-HBM4EU-HB003643
1 reference
InChIKey
GJSSYQDXZLZOLR-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
HMDB0030202
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GJSSYQDXZLZOLR-UHFFFAOYSA-N
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