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(Q105141144)
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English
8-(3-hydroxy-3-methylbutyl)-4,8-dimethoxy-5H,6H,7H-furo[2,3-b]quinolin-7-ol
group of stereoisomers with the chemical formula C₁₈H₂₅NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
furoquinoline alkaloid
1 reference
inferred from
furoquinoline alkaloid
mass
335.3955
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₅NO₅
0 references
canonical SMILES
OC1CCC=2C(OC)=C3C=COC3=NC2C1(OC)CCC(O)(C)C
0 references
Identifiers
InChI
InChI=1S/C18H25NO5/c1-17(2,21)8-9-18(23-4)13(20)6-5-11-14(22-3)12-7-10-24-16(12)19-15(11)18/h7,10,13,20-21H,5-6,8-9H2,1-4H3
0 references
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
0 references
PubChem CID
644731
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
UniChem compound ID
795020
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-CB000015
1 reference
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01449
1 reference
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01450
1 reference
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01451
1 reference
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01452
1 reference
InChIKey
KHGNFPUMBJSZSM-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
DTXSID201347429
1 reference
matched by identifier from
InChIKey
InChIKey
KHGNFPUMBJSZSM-UHFFFAOYSA-N
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