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CHEBI:222927 - 21-hydroxygalbonolide B

ChEBI IDCHEBI:222927
ChEBI Name21-hydroxygalbonolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O6
Net Charge0
Average Mass380.481
Monoisotopic Mass380.21989
SMILESC=C1/C=C(/CO)[C@H](CC)OC(=O)[C@H](C)C(=O)[C@@](O)(CO)C/C(C)=C\[C@@H](C)C1
InChIInChI=1S/C21H32O6/c1-6-18-17(11-22)9-14(3)7-13(2)8-15(4)10-21(26,12-23)19(24)16(5)20(25)27-18/h8-9,13,16,18,22-23,26H,3,6-7,10-12H2,1-2,4-5H3/b15-8-,17-9-/t13-,16+,18-,21-/m0/s1
InChIKeyHOWVMFPEPKNUGI-MFUGMGDASA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (9820234)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxygalbonolide B (CHEBI:222927) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,5S,7Z,9S,12Z,14S)-14-ethyl-5-hydroxy-5,13-bis(hydroxymethyl)-3,7,9-trimethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Manual XrefsDatabases
78440422ChemSpider