CHEBI:201557 - 10'-Desmethoxystreptonigrin

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 10'-Desmethoxystreptonigrin
ChEBI ID CHEBI:201557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000095734500
Download Molfile XML SDF
Formula C24H20N4O7
Net Charge 0
Average Mass 476.445
Monoisotopic Mass 476.13320
InChI InChI=1S/C24H20N4O7/c1-9-14(10-5-4-6-13(34-2)20(10)29)15(25)19(28-17(9)24(32)33)12-8-7-11-18(27-12)22(31)16(26)23(35-3)21(11)30/h4-8,29H,25-26H2,1-3H3,(H,32,33)
InChIKey ULSNCNUVHUNMCF-UHFFFAOYSA-N
SMILES O=C1C(N)=C(OC)C(=O)C=2C1=NC(C3=NC(=C(C)C(=C3N)C4=C(O)C(OC)=CC=C4)C(=O)O)=CC2
ChEBI Ontology
Outgoing 10'-Desmethoxystreptonigrin (CHEBI:201557) is a bipyridines (CHEBI:50511)
IUPAC Name
5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylic acid
Manual Xref Database
20129671 ChemSpider
View more database links