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CHEBI:206800 - Branimycin B

ChEBI IDCHEBI:206800
ChEBI NameBranimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O8
Net Charge0
Average Mass438.517
Monoisotopic Mass438.22537
SMILESCOC[C@H]1C(=O)O[C@H]([C@H](O)CO)[C@H](C)/C=C(\C)[C@@]23O[C@H]4[C@H](O)[C@H](C)[C@@H](O)[C@@H]2[C@H]4C=C[C@H]13
InChIInChI=1S/C23H34O8/c1-10-7-11(2)23-15(14(9-29-4)22(28)30-20(10)16(25)8-24)6-5-13-17(23)18(26)12(3)19(27)21(13)31-23/h5-7,10,12-21,24-27H,8-9H2,1-4H3/b11-7+/t10-,12-,13-,14-,15-,16-,17+,18-,19-,20+,21-,23+/m1/s1
InChIKeyVQHBSPRDIQVOOD-MGBSWPCYSA-N
Species of MetaboliteComponentSourceComments
Pseudonocardia (ncbitaxon:1847) - PubMed (28169531)
ChEBI Ontology
Outgoing Relation(s)
Branimycin B (CHEBI:206800) 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-12-(methoxymethyl)-5,16,18-trimethyl-2,14-dioxatetracyclo[9.7.0.01,7.03,8]octadeca-9,17-dien-13-one
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61362109ChemSpider