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CHEBI:214772 - 3'-O-methylsteffimycin

ChEBI IDCHEBI:214772
ChEBI Name3'-O-methylsteffimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O13
Net Charge0
Average Mass588.562
Monoisotopic Mass588.18429
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC)C(OC)C(C)(O)C3=O
InChIInChI=1S/C29H32O13/c1-10-23(38-4)22(34)25(39-5)28(41-10)42-24-18-14(26(35)29(2,36)27(24)40-6)9-13-17(21(18)33)20(32)16-12(19(13)31)7-11(37-3)8-15(16)30/h7-10,22-25,27-28,30,33-34,36H,1-6H3/t10-,22+,23-,24?,25+,27?,28-,29?/m0/s1
InChIKeyVHJWDTPKSIFZBV-NIVUTRQNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (18224649)
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)
3'-O-methylsteffimycin (CHEBI:214772) is a anthracycline (CHEBI:48120)
IUPAC Name 
2,5,7-trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Manual XrefsDatabases
440216ChemSpider