CHEBI:210949 - 2'-aminodechloromaldoxin

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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 2'-aminodechloromaldoxin
ChEBI ID CHEBI:210949
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H15NO8
Net Charge 0
Average Mass 361.306
Monoisotopic Mass 361.07977
InChI InChI=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
InChIKey KYKOJYNIZQSBRH-KRWDZBQOSA-N
SMILES O=C1O[C@]2(OC3=C1C(O)=CC(=C3)C)C(=C(N)C(OC)=CC2=O)C(=O)OC
Metabolite of Species Details
Pestalotiopsis flavidula (NCBI:txid859166) See: PubMed
ChEBI Ontology
Outgoing 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