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English
6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline
chemical compound
1-Methyl-6,7-dimethoxy-3,4-dihydroisoquinoline
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
isoquinoline alkaloid
0 references
mass
205.11027872
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅NO₂
0 references
canonical SMILES
CC1=NCCC2=CC(=C(C=C12)OC)OC
0 references
found in taxon
Pachycereus weberi
1 reference
stated in
Search for new alkaloids in Pachycereus weberi by tandem mass spectrometry
Carnegiea gigantea
1 reference
stated in
Cactus Alkaloids. XLIX. New Trace Alkaloids (Dehydrosalsolidine and Heliamine) From the Saguaro, Carnegiea gigantea, and Confirmation by Mikes (MS/MS)
Identifiers
InChI
InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
0 references
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
0 references
CAS Registry Number
4721-98-6
0 references
PubChem CID
22652
0 references
ChEBI ID
181377
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
UniChem compound ID
338520
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR301399
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301403
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301407
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301411
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301415
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301419
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301423
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301427
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301431
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301434
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301438
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301442
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR311168
1 reference
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID80197068
0 references
DSSTOX compound identifier
DTXCID90119559
0 references
NSC number
144726
0 references
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