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CHEBI:234077 - (E)-3-(3-Bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide

Default Structure
ChEBI IDCHEBI:234077
ChEBI Name(E)-3-(3-Bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide
Stars
Submitterlbonaobra
DownloadsMolfile
FormulaC16H14BrNO5S
Net Charge0
Average Mass412.261
Monoisotopic Mass410.97761
SMILES[H]C(/C(S)=N/Cc1cc(O)c(O)c(O)c1)=C(/[H])c1cc(O)c(O)c(Br)c1
InChIInChI=1S/C16H14BrNO5S/c17-10-3-8(4-11(19)15(10)22)1-2-14(24)18-7-9-5-12(20)16(23)13(21)6-9/h1-6,19-23H,7H2,(H,18,24)/b2-1+
InChIKeyNIPUPOUEGOSAAO-OWOJBTEDSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-3-(3-Bromo-4,5-dihydroxyphenyl)-N-(3,4,5-trihydroxybenzyl)prop-2-enethioamide (CHEBI:234077) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1384426-12-3SUBMITTER
NT157SUBMITTER
Registry NumbersSources
CAS:1384426-12-3SUBMITTER