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CHEBI:210915 - (3S,5E,7S,8S)-13,15-Dibromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one

ChEBI IDCHEBI:210915
ChEBI Name(3S,5E,7S,8S)-13,15-Dibromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22Br2O7
Net Charge0
Average Mass522.186
Monoisotopic Mass519.97323
SMILESCOc1c(Br)c(O)c2c(c1Br)C=CC[C@@H](O)[C@H](O)[C@@H](O)C=CC[C@H](C)OC2=O
InChIInChI=1S/C19H22Br2O7/c1-9-5-3-7-11(22)16(24)12(23)8-4-6-10-13(19(26)28-9)17(25)15(21)18(27-2)14(10)20/h3-4,6-7,9,11-12,16,22-25H,5,8H2,1-2H3/t9-,11-,12+,16+/m0/s1
InChIKeyJZBCFYFXBXJTKB-UCIVKPIZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/j.tetlet.2014.06.096)
ChEBI Ontology
Outgoing Relation(s)
(3S,5E,7S,8S)-13,15-Dibromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one (CHEBI:210915) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,8S,9S,10R)-15,17-dibromo-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one