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CHEBI:209389 - L-rhodinose-2-deoxy-L-fucose-L-rhodinose-epsilon-rhodomycinone

ChEBI IDCHEBI:209389
ChEBI NameL-rhodinose-2-deoxy-L-fucose-L-rhodinose-epsilon-rhodomycinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O16
Net Charge0
Average Mass786.824
Monoisotopic Mass786.30989
SMILESCC[C@@]1(O)C[C@H](O[C@H]2CC[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C40H50O16/c1-6-40(49)15-24(29-30(33(40)39(48)50-5)37(47)31-32(36(29)46)35(45)28-19(34(31)44)8-7-9-21(28)42)55-25-13-11-23(17(3)52-25)54-27-14-22(43)38(18(4)53-27)56-26-12-10-20(41)16(2)51-26/h7-9,16-18,20,22-27,33,38,41-43,46-47,49H,6,10-15H2,1-5H3/t16-,17-,18-,20-,22-,23-,24-,25-,26-,27-,33-,38+,40+/m0/s1
InChIKeyWVOQDSHZOGQTQR-XUSTYOIPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29767975)
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)
L-rhodinose-2-deoxy-L-fucose-L-rhodinose-epsilon-rhodomycinone (CHEBI:209389) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-[(2R,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78439061ChemSpider