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CHEBI:217567 - Loonamycin A

ChEBI IDCHEBI:217567
ChEBI NameLoonamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36Cl2N4O11
Net Charge0
Average Mass759.596
Monoisotopic Mass758.17576
SMILESCO[C@@H]1[C@H](O)[C@@H](O)[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cc(O[C@@H]7C[C@@H](O)[C@@H](N(C)C)CO7)c(O)c(Cl)c6nc5c32)C(=O)N(C)C4=O)O[C@@H]1CO
InChIInChI=1S/C35H36Cl2N4O11/c1-39(2)15-11-50-19(9-16(15)43)51-17-8-13-20-22-23(34(48)40(3)33(22)47)21-12-6-5-7-14(36)27(12)41(28(21)26(20)38-25(13)24(37)29(17)44)35-31(46)30(45)32(49-4)18(10-42)52-35/h5-8,15-16,18-19,30-32,35,38,42-46H,9-11H2,1-4H3/t15-,16+,18+,19+,30+,31+,32-,35+/m0/s1
InChIKeyYDIKBMCSKOWUBL-KIMNJLMLSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (32484694)
ChEBI Ontology
Outgoing Relation(s)
Loonamycin A (CHEBI:217567) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
5,21-dichloro-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-19-[(2R,4R,5S)-5-(dimethylamino)-4-hydroxyoxan-2-yl]oxy-20-hydroxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione