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Polyandrocarpamide B
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
tryptamine alkaloid
0 references
mass
434.01274034
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₅IN₂O₃
0 references
canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCCC3=CC(=C(C=C3)O)I
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/C18H15IN2O3/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
LYSQOZZYHKCETK-UHFFFAOYSA-N
0 references
CAS Registry Number
129369-42-2
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PubChem CID
179828
1 reference
matched by identifier from
InChIKey
InChIKey
LYSQOZZYHKCETK-UHFFFAOYSA-N
UniChem compound ID
68467433
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10156148
1 reference
matched by identifier from
InChIKey
InChIKey
LYSQOZZYHKCETK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID8078639
0 references
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