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CHEBI:208688 - 8-Demethoxy-steffimycin A

ChEBI IDCHEBI:208688
ChEBI Name8-Demethoxy-steffimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O12
Net Charge0
Average Mass544.509
Monoisotopic Mass544.15808
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC1OC(C)C(O)C(O)C1OC)C[C@](C)(O)C3=O
InChIInChI=1S/C27H28O12/c1-9-19(29)23(33)24(37-4)26(38-9)39-15-8-27(2,35)25(34)13-7-12-18(22(32)17(13)15)21(31)16-11(20(12)30)5-10(36-3)6-14(16)28/h5-7,9,15,19,23-24,26,28-29,32-33,35H,8H2,1-4H3/t9?,15-,19?,23?,24?,26?,27-/m0/s1
InChIKeyAQFADKCFMXAMRX-LMGOOAFDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces steffisburgensis (ncbitaxon:68271) - PubMed (9268006)
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)
8-Demethoxy-steffimycin A (CHEBI:208688) is a anthracycline (CHEBI:48120)
IUPAC Name 
(2S,4S)-4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Manual XrefsDatabases
78445683ChemSpider