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CHEBI:226321 - Rubomycin F

ChEBI IDCHEBI:226321
ChEBI NameRubomycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO12
Net Charge0
Average Mass599.589
Monoisotopic Mass599.20028
SMILESCCOC(=O)NC1CC(O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O
InChIInChI=1S/C30H33NO12/c1-5-41-29(38)31-16-9-19(42-12(2)24(16)33)43-18-11-30(39,13(3)32)10-15-21(18)28(37)23-22(26(15)35)25(34)14-7-6-8-17(40-4)20(14)27(23)36/h6-8,12,16,18-19,24,33,35,37,39H,5,9-11H2,1-4H3,(H,31,38)/t12?,16?,18-,19?,24?,30-/m0/s1
InChIKeyYMPKVNDJETUUPT-ILJARRERSA-N
Species of MetaboliteComponentSourceComments
Streptomyces coeruleorubidus (ncbitaxon:116188) - PubMed (1517164)
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)
Rubomycin F (CHEBI:226321) is a anthracycline (CHEBI:48120)
IUPAC Name 
ethyl N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]carbamate
Manual XrefsDatabases
78445480ChemSpider