CHEBI:31558 - Esmeraldin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Esmeraldin B
ChEBI ID CHEBI:31558
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H28N4O7
Net Charge 0
Average Mass 652.653
Monoisotopic Mass 652.19580
InChI InChI=1S/C38H28N4O7/c1-17-8-4-15-28(43)29(17)38(48)49-19(3)21-10-6-12-24-31(21)41-34-30-18(2)20-9-5-13-25-35(20)42(27(30)16-23(37(46)47)33(34)39-24)26-14-7-11-22(36(44)45)32(26)40-25/h4-16,18-19,40,43H,1-3H3,(H,44,45)(H,46,47)
InChIKey UFEIYIBAKOKKBK-UHFFFAOYSA-N
SMILES CC(OC(=O)c1c(C)cccc1O)c1cccc2nc3c(cc4N5c6cccc(C(O)=O)c6Nc6cccc(C(C)c4c3nc12)c56)C(O)=O
ChEBI Ontology
Outgoing Esmeraldin B (CHEBI:31558) is a phenazines (CHEBI:39201)
Synonym Source
Esmeraldin B KEGG COMPOUND
Manual Xref Database
C12310 KEGG COMPOUND
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Last Modified
28 July 2014