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CHEBI:198330 - Mutactimycin E

ChEBI IDCHEBI:198330
ChEBI NameMutactimycin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O12
Net Charge0
Average Mass560.552
Monoisotopic Mass560.18938
SMILESCOc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](C)(O)[C@@H](O)C3OC1OC(C)C(O)C(OC)C1O
InChIInChI=1S/C28H32O12/c1-9-6-7-11-13(23(9)37-4)20(32)16-15(18(11)30)19(31)12-8-28(3,36)26(35)24(14(12)21(16)33)40-27-22(34)25(38-5)17(29)10(2)39-27/h6-7,10,17,22,24-27,29,31,33-36H,8H2,1-5H3/t10?,17?,22?,24?,25?,26-,27?,28+/m0/s1
InChIKeyZGGDWZSCMCJHBF-KCPMWTRJSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (19168982)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Mutactimycin E (CHEBI:198330) is a anthracycline (CHEBI:48120)
IUPAC Name 
(8S,9R)-7-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6,8,9,11-tetrahydroxy-4-methoxy-3,9-dimethyl-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78445020ChemSpider