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CHEBI:210161 - JBIR-37

ChEBI IDCHEBI:210161
ChEBI NameJBIR-37
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O12
Net Charge0
Average Mass502.513
Monoisotopic Mass502.20503
SMILESC=CC(C)(C)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H34O12/c1-4-23(2,3)11-6-5-10(32-21-19(30)17(28)15(26)13(8-24)34-21)7-12(11)33-22-20(31)18(29)16(27)14(9-25)35-22/h4-7,13-22,24-31H,1,8-9H2,2-3H3/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
InChIKeyVWNIXYVUBPRGGF-OALZDZJCSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (19734652)
ChEBI Ontology
Outgoing Relation(s)
JBIR-37 (CHEBI:210161) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(2-methylbut-3-en-2-yl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
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