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(Q83028419)
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Litebamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
339.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₁NO₄
0 references
canonical SMILES
CN1CCC2=C3C=CC4=CC(=C(C=C4C3=C(C(=C2C1)O)OC)OC)O
0 references
found in taxon
Litsea cubeba
4 references
stated in
Litebamine, a novel phenanthrene alkaloid from Litsea cubeba
stated in
Application of centrifugal partition chromatography to the separation of Lauraceous alkaloids
stated in
Litebamine, a novel phenanthrene alkaloid from Litsea cubeba
stated in
Litebamine, a novel phenanthrene alkaloid from Litsea cubeba
Identifiers
InChI
InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3
0 references
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
0 references
CAS Registry Number
137031-56-2
1 reference
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=137031-56-2
PubChem CID
196885
1 reference
matched by identifier from
InChIKey
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
ChEBI ID
178482
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H21NO4/c1-21-7-6-12-13-5-4-11-8-16(22)17(24-2)9-14(11)18(13)20(25-3)19(23)15(12)10-21/h4-5,8-9,22-23H,6-7,10H2,1-3H3
UniChem compound ID
298825
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30160040
1 reference
matched by identifier from
InChIKey
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID4082531
0 references
Human Metabolome Database ID
HMDB0038629
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
KNApSAcK ID
C00028482
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QOWFEPGZJDCIKG-UHFFFAOYSA-N
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