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CHEBI:180131 - Sambutoxin

ChEBI IDCHEBI:180131
ChEBI NameSambutoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO4
Net Charge0
Average Mass453.623
Monoisotopic Mass453.28791
SMILES[H][C@@]1(c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@@H](C)[C@H](/C(C)=C/[C@H](C)C[C@@H](C)CC)O1
InChIInChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+/t17-,18+,19+,24-,27+/m0/s1
InChIKeyFVYDVAOTXPELMH-SPRAOHHPSA-N
Species of MetaboliteComponentSourceComments
Fusarium sambucinum (ncbitaxon:5128) - DOI (10.1016/0040-4039(94)02450-p)
ChEBI Ontology
Outgoing Relation(s)
Sambutoxin (CHEBI:180131) is a terpene glycoside (CHEBI:61777)
IUPAC Names 
3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
3-[(2S,5R,6R)-6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
Manual XrefsDatabases
28424544ChemSpider
24701503ChemSpider
Registry NumbersSources
CAS:160047-56-3ChemIDplus