CHEBI:225997 - Isomethoxyneihumicin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Isomethoxyneihumicin
ChEBI ID CHEBI:225997
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18N2O3
Net Charge 0
Average Mass 334.375
Monoisotopic Mass 334.13174
InChI InChI=1S/C20H18N2O3/c1-24-16-10-8-15(9-11-16)13-18-20(25-2)22-17(19(23)21-18)12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,23)
InChIKey CYZMZJISYQZNAE-UHFFFAOYSA-N
SMILES O=C1NC(C(OC)=NC1=CC2=CC=CC=C2)=CC3=CC=C(OC)C=C3
ChEBI Ontology
Outgoing Isomethoxyneihumicin (CHEBI:225997) is a aromatic ether (CHEBI:35618)
Isomethoxyneihumicin (CHEBI:225997) is a pyrazines (CHEBI:38314)
IUPAC Name
3-benzylidene-5-methoxy-6-[(4-methoxyphenyl)methylidene]pyrazin-2-one