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(Q105292209)
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English
1-hydroxy-4-[3-methyl-1-(sulfooxy)-6H,7H,8H,9H-pyridazino[1,2-a]indazol-11-ylidene]cyclohexa-2,5-dien-1-yl
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
375.101467708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₉N₂O₅S
0 references
canonical SMILES
O=S(=O)(O)OC1=CC(=CC2=C1C(=C3C=C[C](O)C=C3)N4N2CCCC4)C
0 references
found in taxon
Nigella sativa
1 reference
stated in
Nigellidine-4-O-sulfite, the first sulfated indazole-type alkaloid from the seeds of Nigella sativa
Identifiers
InChI
InChI=1S/C18H19N2O5S/c1-12-10-15-17(16(11-12)25-26(22,23)24)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,22,23,24)
0 references
InChIKey
VSHOGHZRODUJTC-UHFFFAOYSA-N
0 references
KNApSAcK ID
C00039847
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VSHOGHZRODUJTC-UHFFFAOYSA-N
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