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CHEBI:224675 - FCE 21424

ChEBI IDCHEBI:224675
ChEBI NameFCE 21424
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H43N3O15
Net Charge0
Average Mass781.768
Monoisotopic Mass781.26942
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@@H]2N[C@@H](C3C(=O)NC(=O)NC3=O)[C@@H](C)O[C@@H](C[C@H](C)O)O[C@@H]2[C@@H](C)O1
InChIInChI=1S/C38H43N3O15/c1-13(42)9-22-53-14(2)29(28-35(48)40-37(50)41-36(28)49)39-19-10-23(54-15(3)34(19)56-22)55-21-12-38(51,16(4)43)11-18-25(21)33(47)27-26(31(18)45)30(44)17-7-6-8-20(52-5)24(17)32(27)46/h6-8,13-15,19,21-23,28-29,34,39,42,45,47,51H,9-12H2,1-5H3,(H2,40,41,48,49,50)/t13-,14+,15+,19-,21+,22+,23+,29+,34+,38-/m0/s1
InChIKeyVYVYRFZPGDQXLQ-RLZOOHAISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2307627)
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)
FCE 21424 (CHEBI:224675) is a anthracycline (CHEBI:48120)
IUPAC Name 
5-[(2R,4R,5S,6aS,8S,10R,10aS)-8-[[(1R,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-[(2S)-2-hydroxypropyl]-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-5-yl]-1,3-diazinane-2,4,6-trione
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