CHEBI:190864 - 5-APB

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-APB
ChEBI ID CHEBI:190864
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H13NO
Net Charge 0
Average Mass 175.231
Monoisotopic Mass 175.09971
InChI InChI=1S/C11H13NO/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8H,6,12H2,1H3
InChIKey VKUMKUZDZWHMQU-UHFFFAOYSA-N
SMILES O1C2=C(C=C(CC(N)C)C=C2)C=C1
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 5-APB (CHEBI:190864) is a benzofurans (CHEBI:35259)
IUPAC Name
1-(1-benzouran-5-yl)propan-2-amine
Manual Xref Database
8012953 ChemSpider
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Registry Number Type Source
286834-81-9 CAS Registry Number ChemIDplus