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CHEBI:209385 - L-rhodinose-L-rhodinose-L-rhodinose-epsilon-rhodomycinone

ChEBI IDCHEBI:209385
ChEBI NameL-rhodinose-L-rhodinose-L-rhodinose-epsilon-rhodomycinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O15
Net Charge0
Average Mass770.825
Monoisotopic Mass770.31497
SMILESCC[C@@]1(O)C[C@H](O[C@H]2CC[C@H](O[C@H]3CC[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/C40H50O15/c1-6-40(48)16-25(30-31(34(40)39(47)49-5)38(46)32-33(37(30)45)36(44)29-20(35(32)43)8-7-9-22(29)42)55-28-15-12-24(19(4)52-28)54-27-14-11-23(18(3)51-27)53-26-13-10-21(41)17(2)50-26/h7-9,17-19,21,23-28,34,41-42,45-46,48H,6,10-16H2,1-5H3/t17-,18-,19-,21-,23-,24-,25-,26-,27-,28-,34-,40+/m0/s1
InChIKeyVDCIZHNJZDCCAB-ORJPLPFJSA-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-L-rhodinose-L-rhodinose-epsilon-rhodomycinone (CHEBI:209385) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-[(2R,5S,6S)-5-[(2S,5S,6S)-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
78439060ChemSpider