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CHEBI:204423 - 21-hydroxyrustmicin

ChEBI IDCHEBI:204423
ChEBI Name21-hydroxyrustmicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O7
Net Charge0
Average Mass396.480
Monoisotopic Mass396.21480
SMILESC=C1/C=C(/CO)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)C/C(OC)=C\[C@@H](C)C1
InChIInChI=1S/C21H32O7/c1-6-18-16(11-22)8-13(2)7-14(3)9-17(27-5)10-21(26,12-23)19(24)15(4)20(25)28-18/h8-9,14-15,18,22-23,26H,2,6-7,10-12H2,1,3-5H3/b16-8-,17-9+/t14-,15+,18-,21-/m0/s1
InChIKeyYUDZJJCWRKNMJJ-IMQSPWHASA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (9820234)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxyrustmicin (CHEBI:204423) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,5S,7E,9S,12Z,14S)-14-ethyl-5-hydroxy-5,13-bis(hydroxymethyl)-7-methoxy-3,9-dimethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Manual XrefsDatabases
78440187ChemSpider