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CHEBI:223416 - Conglobatin B1

ChEBI IDCHEBI:223416
ChEBI NameConglobatin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36N2O6
Net Charge0
Average Mass484.593
Monoisotopic Mass484.25734
SMILESC/C1=C\[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC(=O)/C(C)=C/CC[C@H](C)[C@H](Cc2cnco2)OC1=O
InChIInChI=1S/C27H36N2O6/c1-17-9-20(4)25(12-23-14-29-16-33-23)35-26(30)19(3)8-6-7-18(2)24(11-22-13-28-15-32-22)34-27(31)21(5)10-17/h8,10,13-18,20,24-25H,6-7,9,11-12H2,1-5H3/b19-8+,21-10+/t17-,18+,20+,24+,25+/m1/s1
InChIKeyZSFACGJIQJJPDW-MWWGJRGRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32555501)
ChEBI Ontology
Outgoing Relation(s)
Conglobatin B1 (CHEBI:223416) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,7S,8S,11E,15S,16S)-3,5,7,11,15-pentamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Manual XrefsDatabases
109107929ChemSpider