EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209416 - L-rhodinose-2-deoxy-L-fucose-2-deoxy-L-fucose-beta-rhodomycinone

ChEBI IDCHEBI:209416
ChEBI NameL-rhodinose-2-deoxy-L-fucose-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]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]1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C38H48O16/c1-5-38(48)13-22(27-30(37(38)47)34(46)28-29(33(27)45)32(44)26-17(31(28)43)7-6-8-19(26)40)52-24-11-20(41)36(16(4)50-24)54-25-12-21(42)35(15(3)51-25)53-23-10-9-18(39)14(2)49-23/h6-8,14-16,18,20-25,35-37,39-42,45-48H,5,9-13H2,1-4H3/t14-,15-,16-,18-,20-,21-,22-,23-,24-,25-,35+,36+,37+,38+/m0/s1
InChIKeyVEGNNUQXHVKSQU-BCIFTYBMSA-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-2-deoxy-L-fucose-beta-rhodomycinone (CHEBI:209416) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-9-ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-4-hydroxy-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-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78439065ChemSpider