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CHEBI:227237 - Fijiolide B

ChEBI IDCHEBI:227237
ChEBI NameFijiolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36Cl2N2O9
Net Charge0
Average Mass663.551
Monoisotopic Mass662.17979
SMILESCN(C)[C@H]1[C@@H](O)[C@@H](O)[C@H](O[C@]23C=CC=C2c2c4ccc(c2Cl)[C@@H](O)COC(=O)C[C@H](N)c2cc(O)c(c(Cl)c2)O[C@H]43)OC1(C)C
InChIInChI=1S/C32H36Cl2N2O9/c1-31(2)28(36(3)4)25(40)26(41)30(44-31)45-32-9-5-6-17(32)23-16-8-7-15(24(23)34)21(38)13-42-22(39)12-19(35)14-10-18(33)27(20(37)11-14)43-29(16)32/h5-11,19,21,25-26,28-30,37-38,40-41H,12-13,35H2,1-4H3/t19-,21-,25-,26+,28-,29+,30-,32+/m0/s1
InChIKeySGICAIWTPRUYBA-XHXKVFPOSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsisspecies CNS-653 (ncbitaxon:665787) - PubMed (20481500)
ChEBI Ontology
Outgoing Relation(s)
Fijiolide B (CHEBI:227237) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4R,14R,19S)-19-amino-22,25-dichloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-14,23-dihydroxy-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-17-one
Manual XrefsDatabases
25028537ChemSpider