CHEBI:181464 - 8-Oxoerythraline_epoxide

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 8-Oxoerythraline_epoxide
ChEBI ID CHEBI:181464
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H17NO5
Net Charge 0
Average Mass 327.336
Monoisotopic Mass 327.11067
InChI InChI=1S/C18H17NO5/c1-21-14-7-18-10-5-13-12(22-8-23-13)4-9(10)2-3-19(18)15(20)6-11(18)16-17(14)24-16/h4-6,14,16-17H,2-3,7-8H2,1H3
InChIKey WQOZASFQHLTUGJ-UHFFFAOYSA-N
SMILES O1C2C1C(OC)CC34N(CCC=5C3=CC=6OCOC6C5)C(=O)C=C42
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-Oxoerythraline_epoxide (CHEBI:181464) is a alkaloid (CHEBI:22315)
IUPAC Name
20-methoxy-5,7,18-trioxa-13-azahexacyclo[11.8.0.01,16.02,10.04,8.017,19]henicosa-2,4(8),9,15-tetraen-14-one