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CHEBI:214309 - Trichobotryside B

ChEBI IDCHEBI:214309
ChEBI NameTrichobotryside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O8
Net Charge0
Average Mass400.468
Monoisotopic Mass400.20972
SMILESC[C@H](O)C[C@@H]1CC[C@@H](O)/C=C/C(=O)O[C@@H](C)C[C@@H](O)CC[C@@H](O)/C=C/C(=O)O1
InChIInChI=1S/C20H32O8/c1-13(21)11-18-8-5-16(23)6-9-19(25)27-14(2)12-17(24)4-3-15(22)7-10-20(26)28-18/h6-7,9-10,13-18,21-24H,3-5,8,11-12H2,1-2H3/b9-6+,10-7+/t13-,14-,15+,16+,17-,18-/m0/s1
InChIKeyNXGWQHYMRZJAGZ-BAPLDQFOSA-N
Species of MetaboliteComponentSourceComments
Trichobotrys (ncbitaxon:1520156) - DOI (10.1016/j.tetlet.2015.12.026)
ChEBI Ontology
Outgoing Relation(s)
Trichobotryside B (CHEBI:214309) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,8S,11E,13R,16S,18S)-5,13,16-trihydroxy-8-[(2S)-2-hydroxypropyl]-18-methyl-1,9-dioxacyclooctadeca-3,11-diene-2,10-dione
Manual XrefsDatabases
58196450ChemSpider