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(Q83024160)
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English
Polyandrocarpamide A
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
phenethylamine alkaloid
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tryptamine alkaloid
0 references
mass
386.02660444
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₅BrN₂O₃
0 references
canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCC3=CC(=C(C=C3)O)Br
0 references
found in taxon
Polyandrocarpa
1 reference
stated in
Polyandrocarpamides A-D, novel metabolites from the marine ascidian polyandrocarpa sp.
Identifiers
InChI
InChI=1S/C18H15BrN2O3/c19-14-9-11(5-6-16(14)22)7-8-20-18(24)17(23)13-10-21-15-4-2-1-3-12(13)15/h1-6,9-10,21-22H,7-8H2,(H,20,24)
0 references
InChIKey
PLHPHTZTHRMJEP-UHFFFAOYSA-N
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CAS Registry Number
129369-41-1
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PubChem CID
179827
1 reference
matched by identifier from
InChIKey
InChIKey
PLHPHTZTHRMJEP-UHFFFAOYSA-N
UniChem compound ID
47820441
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50156147
1 reference
matched by identifier from
InChIKey
InChIKey
PLHPHTZTHRMJEP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3078638
0 references
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