EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217997 - Trichobotryside A

ChEBI IDCHEBI:217997
ChEBI NameTrichobotryside A
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@H](C)O)CC[C@@H](O)/C=C/C(=O)O1
InChIInChI=1S/C20H32O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h5-6,9-10,13-18,21-24H,3-4,7-8,11-12H2,1-2H3/b9-5+,10-6+/t13-,14-,15+,16+,17-,18-/m0/s1
InChIKeyBEERLEXZFIUGCD-YJIXLFKXSA-N
Species of MetaboliteComponentSourceComments
Trichobotrys (ncbitaxon:1520156) - DOI (10.1016/j.tetlet.2015.12.026)
ChEBI Ontology
Outgoing Relation(s)
Trichobotryside A (CHEBI:217997) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-bis[(2S)-2-hydroxypropyl]-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Manual XrefsDatabases
58196449ChemSpider