CHEBI:205770 - Coralmycin A

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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 A
ChEBI ID CHEBI:205770
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H45N7O15
Net Charge 0
Average Mass 935.900
Monoisotopic Mass 935.29736
InChI InChI=1S/C46H45N7O15/c1-22(2)67-37-32(20-18-30(35(37)54)44(60)51-33-21-19-31(46(62)63)36(55)38(33)68-23(3)4)50-42(58)24-6-14-28(15-7-24)49-45(61)34(39(66-5)40(47)56)52-43(59)25-8-12-27(13-9-25)48-41(57)26-10-16-29(17-11-26)53(64)65/h6-23,34,39,54-55H,1-5H3,(H2,47,56)(H,48,57)(H,49,61)(H,50,58)(H,51,60)(H,52,59)(H,62,63)/t34-,39+/m0/s1
InChIKey QUGQHCSHBGAXCK-AWLITPKASA-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(O)=C(C(=O)O)C=C5)C=C4)C=C3)[C@@H](OC)C(=O)N)C=C2)C=C1
Metabolite of Species Details
Corallococcus (NCBI:txid83461) See: PubMed
ChEBI Ontology
Outgoing Coralmycin A (CHEBI:205770) is a benzamides (CHEBI:22702)
IUPAC Name
3-[[4-[[4-[[(2S,3R)-4-azaniumyl-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-6-carboxy-2-propan-2-yloxyphenolate
Manual Xref Database
76771543 ChemSpider
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