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CHEBI:209422 - 2-deoxy-L-fucose-L-rhodinose-2-deoxy-L-fucose-beta-rhodomycinone

Default Structure
ChEBI IDCHEBI:209422
ChEBI Name2-deoxy-L-fucose-L-rhodinose-2-deoxy-L-fucose-beta-rhodomycinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H48O16
Net Charge0
Average Mass760.786
Monoisotopic Mass760.29424
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3CC[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C38H48O16/c1-5-38(48)13-22(27-30(37(38)47)35(46)28-29(34(27)45)33(44)26-17(32(28)43)7-6-8-18(26)39)53-25-12-20(41)36(16(4)51-25)54-23-10-9-21(14(2)49-23)52-24-11-19(40)31(42)15(3)50-24/h6-8,14-16,19-25,31,36-37,39-42,45-48H,5,9-13H2,1-4H3/t14-,15-,16-,19-,20-,21-,22-,23-,24-,25-,31+,36+,37+,38+/m0/s1
InChIKeyQRWUJDAZMPWAME-QEVHKHIGSA-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)
2-deoxy-L-fucose-L-rhodinose-2-deoxy-L-fucose-beta-rhodomycinone (CHEBI:209422) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2R,4S,5S,6S)-5-[(2S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78439066ChemSpider