CHEBI:215896 - Maridomycin VI

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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 VI
ChEBI ID CHEBI:215896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H63NO16
Net Charge 0
Average Mass 801.924
Monoisotopic Mass 801.41468
InChI InChI=1S/C39H63NO16/c1-19-15-25(13-14-41)35(36(48-10)29(52-23(5)42)17-30(45)49-20(2)16-28-27(54-28)12-11-26(19)44)56-38-33(46)32(40(8)9)34(21(3)51-38)55-31-18-39(7,47)37(22(4)50-31)53-24(6)43/h11-12,14,19-22,25-29,31-38,44,46-47H,13,15-18H2,1-10H3/b12-11+
InChIKey DNROANSVCXNNHI-VAWYXSNFSA-N
SMILES O=C1OC(CC2OC2C=CC(O)C(CC(C(C(C(C1)OC(=O)C)OC)OC3OC(C(OC4OC(C(OC(=O)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
ChEBI Ontology
Outgoing Maridomycin VI (CHEBI:215896) is a aminoglycoside (CHEBI:47779)
IUPAC Name
[(14E)-9-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] acetate
Manual Xref Database
4949152 ChemSpider
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