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CHEBI:202683 - (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one

ChEBI IDCHEBI:202683
ChEBI Name(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O11
Net Charge0
Average Mass580.671
Monoisotopic Mass580.28836
SMILESC[C@@H]1CCC/C=C/[C@@H]2O[C@@H](C/C=C\C=C\[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C/C=C\C(=O)O1)C[C@@H](O)[C@H]2O
InChIInChI=1S/C30H44O11/c1-19-11-5-2-9-15-23-26(34)22(32)17-21(39-23)14-8-3-6-12-20(13-7-4-10-16-25(33)38-19)40-30-29(37)28(36)27(35)24(18-31)41-30/h3-4,6-10,12,15-16,19-24,26-32,34-37H,2,5,11,13-14,17-18H2,1H3/b7-4+,8-3-,12-6+,15-9+,16-10-/t19-,20+,21+,22-,23+,24-,26-,27-,28+,29-,30-/m1/s1
InChIKeyUJGOPUMKVFREMX-GCBNHMNPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24828294)
ChEBI Ontology
Outgoing Relation(s)
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one (CHEBI:202683) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one
Manual XrefsDatabases
32675083ChemSpider