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CHEBI:206806 - Branimycin C

ChEBI IDCHEBI:206806
ChEBI NameBranimycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O9
Net Charge0
Average Mass468.543
Monoisotopic Mass468.23593
SMILESCOC[C@H]1[C@@H](O)[C@@H]2O[C@@]34/C(C)=C/[C@@H](C)[C@@H]([C@H](O)CO)OC(=O)[C@H](COC)[C@H]3C=C[C@@H]2[C@H]4[C@@H]1O
InChIInChI=1S/C24H36O9/c1-11-7-12(2)24-16(14(9-30-3)23(29)32-21(11)17(26)8-25)6-5-13-18(24)19(27)15(10-31-4)20(28)22(13)33-24/h5-7,11,13-22,25-28H,8-10H2,1-4H3/b12-7+/t11-,13-,14-,15-,16-,17-,18+,19-,20-,21+,22-,24+/m1/s1
InChIKeyQXNYWMIZBZITLF-YVOJUGOUSA-N
Species of MetaboliteComponentSourceComments
Pseudonocardia (ncbitaxon:1847) - PubMed (28169531)
ChEBI Ontology
Outgoing Relation(s)
Branimycin C (CHEBI:206806) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,3R,4R,5R,6R,7S,8R,11R,12S,15S,16R,17E)-15-[(1R)-1,2-dihydroxyethyl]-4,6-dihydroxy-5,12-bis(methoxymethyl)-16,18-dimethyl-2,14-dioxatetracyclo[9.7.0.01,7.03,8]octadeca-9,17-dien-13-one
Manual XrefsDatabases
61362110ChemSpider