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(Q83014703)
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Aristolodione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aporphine alkaloids
0 references
mass
307.084457896
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₃NO₄
0 references
canonical SMILES
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C(=O)C1=O
0 references
found in taxon
Aristolochia chilensis
1 reference
stated in
Aristolodione, a 4,5-Dioxoaporphine from Aristolochia chilensis
Aristolochia heterophylla
1 reference
stated in
The Constituents of the Leaves of Aristolochia heterophylla HEMSL.
Piper longum
2 references
stated in
Aristolactams and 4,5-dioxoaporphines from Piper longum
stated in
Aristolactams and 4,5-dioxoaporphines from Piper longum
Aristolochia kaempferi
2 references
stated in
The Constituents of the Leaves of Aristolochia heterophylla HEMSL.
stated in
Constituents from the stem and root of Aristolochia kaempferi
Identifiers
InChI
InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3
0 references
InChIKey
JGDZUWXHWYXMSD-UHFFFAOYSA-N
0 references
CAS Registry Number
109771-09-7
1 reference
InChIKey
JGDZUWXHWYXMSD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=109771-09-7
PubChem CID
184116
1 reference
matched by identifier from
InChIKey
InChIKey
JGDZUWXHWYXMSD-UHFFFAOYSA-N
ChEBI ID
174938
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3
UniChem compound ID
32023207
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30149032
1 reference
matched by identifier from
InChIKey
InChIKey
JGDZUWXHWYXMSD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7071523
0 references
Human Metabolome Database ID
HMDB0033247
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JGDZUWXHWYXMSD-UHFFFAOYSA-N
KNApSAcK ID
C00053939
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JGDZUWXHWYXMSD-UHFFFAOYSA-N
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