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(Q82044802)
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oxopurpureine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aporphine alkaloids
0 references
mass
381.121237328
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₉NO₆
0 references
canonical SMILES
COC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC
0 references
found in taxon
Annona purpurea
6 references
stated in
New alkaloids from Annona purpurea
stated in
Tumor Inhibitors II: Cytotoxic Alkaloids from Annona Purpurea
stated in
Four alkaloids from Annona cherimola.
stated in
Antiplatelet aggregation constituents from Annona purpurea
stated in
Antiplatelet aggregation constituents from Annona purpurea
stated in
Tumor Inhibitors II: Cytotoxic Alkaloids from Annona Purpurea
Annona squamosa
1 reference
stated in
New alkaloids from Annona purpurea
Annona mucosa
1 reference
stated in
Isoquinoline Alkaloids and Lignans fromRollinia mucosa
Identifiers
InChI
InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3
0 references
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
0 references
CAS Registry Number
32845-27-5
1 reference
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=32845-27-5
PubChem CID
284998
1 reference
matched by identifier from
InChIKey
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
ChEBI ID
188967
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3
UniChem compound ID
602750
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00301165
1 reference
matched by identifier from
InChIKey
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50252299
0 references
NSC number
141544
0 references
Human Metabolome Database ID
HMDB0033522
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
KNApSAcK ID
C00027459
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
UNII
QMU2D8YT5P
1 reference
matched by identifier from
InChIKey
InChIKey
AZTLZBDEFBJZQG-UHFFFAOYSA-N
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