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(Q105168789)
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English
Rohitukine
group of stereoisomers with the chemical formula C₁₆H₁₉NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chromone alkaloid
1 reference
inferred from
chromone alkaloid
piperidine alkaloids
1 reference
inferred from
piperidine alkaloids
biogenic chromone
1 reference
inferred from
biogenic chromone
mass
305.126322708
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₉NO₅
0 references
canonical SMILES
O=C1C=C(OC=2C1=C(O)C=C(O)C2C3CCN(C)CC3O)C
0 references
Identifiers
InChI
InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3
0 references
InChIKey
MOCVYVBNJQIVOV-UHFFFAOYSA-N
0 references
CAS Registry Number
757903-87-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5387431
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MOCVYVBNJQIVOV-UHFFFAOYSA-N
UniChem compound ID
32035616
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301132897
1 reference
matched by identifier from
InChIKey
InChIKey
MOCVYVBNJQIVOV-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0257290
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MOCVYVBNJQIVOV-UHFFFAOYSA-N
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