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CHEBI:224670 - FCE 24366

ChEBI IDCHEBI:224670
ChEBI NameFCE 24366
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H47N3O15
Net Charge0
Average Mass809.822
Monoisotopic Mass809.30072
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)N(C)C(=O)N(C)C3=O)[C@@H](C)O[C@@H](C[C@H](C)O)O[C@@H]2[C@@H](C)O1
InChIInChI=1S/C40H47N3O15/c1-15(44)11-24-55-16(2)31(30-37(50)42(5)39(52)43(6)38(30)51)41-21-12-25(56-17(3)36(21)58-24)57-23-14-40(53,18(4)45)13-20-27(23)35(49)29-28(33(20)47)32(46)19-9-8-10-22(54-7)26(19)34(29)48/h8-10,15-17,21,23-25,30-31,36,41,44,47,49,53H,11-14H2,1-7H3/t15-,16+,17+,21-,23+,24+,25+,31+,36+,40-/m0/s1
InChIKeyBJEGYFWQNFXTQG-ODUMSTJCSA-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 24366 (CHEBI:224670) 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-dimethyl-1,3-diazinane-2,4,6-trione
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78443229ChemSpider