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CHEBI:199160 - Iremycin

ChEBI IDCHEBI:199160
ChEBI NameIremycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO9
Net Charge0
Average Mass527.570
Monoisotopic Mass527.21553
SMILESCC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C28H33NO9/c1-5-28(36)10-9-14-19(27(28)38-17-11-15(29(3)4)22(31)12(2)37-17)26(35)21-20(24(14)33)25(34)18-13(23(21)32)7-6-8-16(18)30/h6-8,12,15,17,22,27,30-31,33,35-36H,5,9-11H2,1-4H3/t12-,15-,17-,22+,27+,28+/m0/s1
InChIKeyHECQIFUUJRYFRO-VMINLZLMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (7467412)
ChEBI Ontology
Outgoing Relation(s)
Iremycin (CHEBI:199160) is a quinone (CHEBI:36141)
Iremycin (CHEBI:199160) is a tetracenes (CHEBI:51270)
IUPAC Name 
(9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
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