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CHEBI:218864 - Olimycin B

ChEBI IDCHEBI:218864
ChEBI NameOlimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H35NO8
Net Charge0
Average Mass549.620
Monoisotopic Mass549.23627
SMILESCC[C@H]1/C=C/[C@H](O)[C@H](CC(C)C)OC(=O)[C@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O
InChIInChI=1S/C31H35NO8/c1-6-17-7-9-19(33)21(13-15(2)3)40-30(39)31(5)12-11-22(35)32-26-25(31)29(38)23-18(28(26)37)14-16(4)27(36)24(23)20(34)10-8-17/h7,9,11-12,14-15,17,19,21,33,36H,6,8,10,13H2,1-5H3,(H,32,35)/b9-7+/t17-,19-,21-,31+/m0/s1
InChIKeyCXZKUXHFVVFGSU-PSDJQMKZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2017.11.069)
ChEBI Ontology
Outgoing Relation(s)
Olimycin B (CHEBI:218864) is a macrolide (CHEBI:25106)
IUPAC Name 
(9R,10E,12S,13S,16R)-9-ethyl-4,12-dihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[19.3.1.05,24.016,22]pentacosa-1(24),2,4,10,17,21-hexaene-6,15,19,23,25-pentone