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(Q104666964)
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Cathaformine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aporphine alkaloids
0 references
mass
399.131802012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₁NO₇
0 references
canonical SMILES
O=C(OC)N1CCC2=C(OC)C=3OCOC3C=4C5=CC(OC)=C(O)C=C5CC1C42
0 references
isomeric SMILES
COC(=O)N1CCc2c(OC)c3c(c4c2[C@@H]1Cc1cc(O)c(OC)cc1-4)OCO3
0 references
found in taxon
Cassytha filiformis
2 references
stated in
Antiplatelet and vasorelaxing actions of aporphinoids from Cassytha filiformis
stated in
Alkaloids from Cassytha filiformis
Identifiers
InChI
InChI=1S/C21H21NO7/c1-25-15-8-12-10(7-14(15)23)6-13-16-11(4-5-22(13)21(24)27-3)18(26-2)20-19(17(12)16)28-9-29-20/h7-8,13,23H,4-6,9H2,1-3H3/t13-/m0/s1
0 references
InChIKey
KVWMKVVFUVBYJR-ZDUSSCGKSA-N
0 references
PubChem CID
15462433
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVWMKVVFUVBYJR-ZDUSSCGKSA-N
UniChem compound ID
81061
1 reference
stated in
UniChem
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