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CHEBI:210949 - 2'-aminodechloromaldoxin

ChEBI IDCHEBI:210949
ChEBI Name2'-aminodechloromaldoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H15NO8
Net Charge0
Average Mass361.306
Monoisotopic Mass361.07977
SMILESCOC(=O)C1=C(N)C(OC)=CC(=O)[C@]12OC(=O)c1c(O)cc(C)cc1O2
InChIInChI=1S/C17H15NO8/c1-7-4-8(19)12-9(5-7)25-17(26-15(12)21)11(20)6-10(23-2)14(18)13(17)16(22)24-3/h4-6,19H,18H2,1-3H3/t17-/m0/s1
InChIKeyKYKOJYNIZQSBRH-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis flavidula (ncbitaxon:859166) - PubMed (30914329)
ChEBI Ontology
Outgoing Relation(s)
2'-aminodechloromaldoxin (CHEBI:210949) is a phenols (CHEBI:33853)
IUPAC Name 
methyl (2R)-2'-amino-5-hydroxy-3'-methoxy-7-methyl-4,5'-dioxospiro[1,3-benzodioxine-2,6'-cyclohexa-1,3-diene]-1'-carboxylate