EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221493 - Dioxamycin

ChEBI IDCHEBI:221493
ChEBI NameDioxamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H40O15
Net Charge0
Average Mass736.723
Monoisotopic Mass736.23672
SMILESC[C@@H]1O[C@](C)(C(=O)O)O[C@H]1/C=C/C=C/C=C/C(=O)O[C@H]1CC[C@H](c2ccc3c(c2O)C(=O)C2=C(C3=O)[C@@]3(O)C(=O)[C@H](O)[C@](C)(O)C[C@@]3(O)C=C2)O[C@@H]1C
InChIInChI=1S/C38H40O15/c1-18-23(51-26(39)10-8-6-5-7-9-24-19(2)52-36(4,53-24)34(45)46)13-14-25(50-18)20-11-12-21-27(29(20)40)30(41)22-15-16-37(48)17-35(3,47)32(43)33(44)38(37,49)28(22)31(21)42/h5-12,15-16,18-19,23-25,32,40,43,47-49H,13-14,17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19+,23+,24+,25-,32+,35-,36+,37+,38-/m1/s1
InChIKeyHWMMBHOXHRVLCU-JQHNOIMPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2032948)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Dioxamycin (CHEBI:221493) is a angucycline (CHEBI:48130)
IUPAC Name 
(2S,4S,5S)-4-[(1E,3E,5E)-7-[(2R,3S,6R)-6-[(2R,3R,4aR,12bS)-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyloxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid
Manual XrefsDatabases
78442923ChemSpider