CHEBI:205777 - Coralmycin B

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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 Coralmycin B
ChEBI ID CHEBI:205777
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H44N6O15
Net Charge 0
Average Mass 920.885
Monoisotopic Mass 920.28646
InChI InChI=1S/C46H44N6O15/c1-23(2)66-35-22-28(45(59)60)12-20-33(35)49-43(57)32-19-21-34(38(37(32)53)67-24(3)4)50-41(55)25-6-15-30(16-7-25)48-44(58)36(39(65-5)46(61)62)51-42(56)26-8-13-29(14-9-26)47-40(54)27-10-17-31(18-11-27)52(63)64/h6-24,36,39,53H,1-5H3,(H,47,54)(H,48,58)(H,49,57)(H,50,55)(H,51,56)(H,59,60)(H,61,62)/t36-,39-/m0/s1
InChIKey COERGQLNLZNYLZ-VQIIKMDRSA-N
SMILES O=[N+]([O-])C1=CC=C(C(=O)NC2=CC=C(C(=O)N[C@H](C(=O)NC3=CC=C(C(=O)NC4=C(OC(C)C)C(O)=C(C(=O)NC5=C(OC(C)C)C=C(C(=O)O)C=C5)C=C4)C=C3)[C@H](OC)C(=O)O)C=C2)C=C1
Metabolite of Species Details
Corallococcus (NCBI:txid83461) See: PubMed
ChEBI Ontology
Outgoing Coralmycin B (CHEBI:205777) is a benzamides (CHEBI:22702)
IUPAC Name
4-[[4-[[4-[[(2S,3S)-3-carboxy-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid
Manual Xref Database
76779512 ChemSpider
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