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CHEBI:200774 - 5-iminoaranciamycin

ChEBI IDCHEBI:200774
ChEBI Name5-iminoaranciamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO11
Net Charge0
Average Mass543.525
Monoisotopic Mass543.17406
SMILESCO[C@H]1[C@H](O[C@@H]2c3c(cc4c(c3O)C(=N)c3c(O)cccc3C4=O)C(=O)[C@@](C)(O)[C@H]2OC)O[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C27H29NO11/c1-9-18(30)21(33)23(36-3)26(38-9)39-22-16-12(24(34)27(2,35)25(22)37-4)8-11-15(20(16)32)17(28)14-10(19(11)31)6-5-7-13(14)29/h5-9,18,21-23,25-26,28-30,32-33,35H,1-4H3/t9-,18-,21+,22+,23+,25-,26-,27+/m0/s1
InChIKeyFCNMLVQYLQQPOH-FBAKCHIYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces marinus (ncbitaxon:582854) - PubMed (20192240)
ChEBI Ontology
Outgoing Relation(s)
5-iminoaranciamycin (CHEBI:200774) is a anthracenes (CHEBI:46955)
IUPAC Name 
(2S,3S,4R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6-imino-3-methoxy-2-methyl-3,4-dihydrotetracene-1,11-dione
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