CHEBI:181320 - Fumaritine N-oxide

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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 Fumaritine N-oxide
ChEBI ID CHEBI:181320
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H21NO6
Net Charge 0
Average Mass 371.389
Monoisotopic Mass 371.13689
InChI InChI=1S/C20H21NO6/c1-21(24)6-5-11-7-16(25-2)14(22)8-13(11)20(21)9-12-3-4-15-18(27-10-26-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3
InChIKey GIGLNPLPIFRSFH-UHFFFAOYSA-N
SMILES OC1C2([N+]([O-])(CCC=3C2=CC(O)=C(OC)C3)C)CC4=C1C=5OCOC5C=C4
ChEBI Ontology
Outgoing Fumaritine N-oxide (CHEBI:181320) is a isoquinolines (CHEBI:24922)
IUPAC Name
6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol
Manual Xref Database
29814818 ChemSpider
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