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CHEBI:197808 - (3S,5E,7S,8S)-13-Bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one

ChEBI IDCHEBI:197808
ChEBI Name(3S,5E,7S,8S)-13-Bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23BrO7
Net Charge0
Average Mass443.290
Monoisotopic Mass442.06272
SMILESCOc1cc(O)c2c(c1Br)C=CC[C@@H](O)[C@H](O)[C@@H](O)C=CC[C@H](C)OC2=O
InChIInChI=1S/C19H23BrO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h3-4,6-7,9-10,12-13,18,21-24H,5,8H2,1-2H3/t10-,12-,13+,18+/m0/s1
InChIKeyCXOUKSOPSSXCMZ-ZMYIOMMISA-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-Bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1H-2-benzooxacyclotetradecin-1-one (CHEBI:197808) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,8S,9S,10R)-15-bromo-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one