CHEBI:80925 - Aeroplysinin 1

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ChEBI Name Aeroplysinin 1 ChEBI ID CHEBI:80925 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H9Br2NO3 Net Charge 0 Average Mass 338.98100 Monoisotopic Mass 336.89492 InChI InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1 InChIKey BGYNLOSBKBOJJD-IUCAKERBSA-N SMILES COC1=C(Br)[C@H](O)[C@](O)(CC#N)C=C1Br ChEBI Ontology Outgoing Aeroplysinin 1 (CHEBI:80925) is a tertiary alcohol (CHEBI:26878) Manual Xref Database C17099 KEGG COMPOUND View more database links Registry Number Type Source 28656-91-9 CAS Registry Number KEGG COMPOUND