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CHEBI:202588 - Fijiolide A

ChEBI IDCHEBI:202588
ChEBI NameFijiolide A
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SubmitterMetaboLights
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FormulaC34H38Cl2N2O10
Net Charge0
Average Mass705.588
Monoisotopic Mass704.19035
SMILESCC(=O)N[C@H]1CC(=O)OC[C@H](O)c2ccc3c(c2Cl)C2=CC=C[C@]2(O[C@@H]2OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]2O)[C@@H]3Oc2c(O)cc1cc2Cl
InChIInChI=1S/C34H38Cl2N2O10/c1-15(39)37-21-13-24(42)45-14-23(41)17-8-9-18-25(26(17)36)19-7-6-10-34(19,31(18)46-29-20(35)11-16(21)12-22(29)40)48-32-28(44)27(43)30(38(4)5)33(2,3)47-32/h6-12,21,23,27-28,30-32,40-41,43-44H,13-14H2,1-5H3,(H,37,39)/t21-,23-,27-,28+,30-,31+,32-,34+/m0/s1
InChIKeyUOSXSYLUJCWXEX-POTPYSIGSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsisspecies CNS-653 (ncbitaxon:665787) - PubMed (20481500)
ChEBI Ontology
Outgoing Relation(s)
Fijiolide A (CHEBI:202588) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N-[(3R,4R,14R,19S)-22,25-dichloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-14,23-dihydroxy-17-oxo-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-19-yl]acetamide
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