CHEBI:204122 - Maridomycin IV

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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 Maridomycin IV
ChEBI ID CHEBI:204122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H65NO16
Net Charge 0
Average Mass 815.951
Monoisotopic Mass 815.43034
InChI InChI=1S/C40H65NO16/c1-11-30(45)55-38-23(5)51-32(19-40(38,7)48)56-35-22(4)52-39(34(47)33(35)41(8)9)57-36-25(14-15-42)16-20(2)26(44)12-13-27-28(54-27)17-21(3)50-31(46)18-29(37(36)49-10)53-24(6)43/h12-13,15,20-23,25-29,32-39,44,47-48H,11,14,16-19H2,1-10H3/b13-12+
InChIKey DOABXUMIXMOBRE-OUKQBFOZSA-N
SMILES O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)CC)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Maridomycin IV (CHEBI:204122) is a aminoglycoside (CHEBI:47779)
IUPAC Name
[6-[6-[[(14E)-7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
Manual Xref Database
4949162 ChemSpider
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