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CHEBI:221940 - (3R,5S)-5-(4-hydroxybenzyl)-3-methyl-3-((2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl)pyrrolidine-2,4-dione

ChEBI IDCHEBI:221940
ChEBI Name(3R,5S)-5-(4-hydroxybenzyl)-3-methyl-3-((2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl)pyrrolidine-2,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESC/C=C(C)/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C27H33NO5/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-25(30)21(5)26(31)28-24(27(32)33)17-22-11-13-23(29)14-12-22/h6-16,21,24,29H,17H2,1-5H3,(H,28,31)(H,32,33)/b9-7+,15-10+,18-6+,19-8+,20-16+/t21?,24-/m1/s1
InChIKeyQYOOOQHFZSDPSQ-WNZXBQPCSA-N
Species of MetaboliteComponentSourceComments
Fusarium heterosporum (ncbitaxon:42747) - PubMed (23614392)
ChEBI Ontology
Outgoing Relation(s)
(3R,5S)-5-(4-hydroxybenzyl)-3-methyl-3-((2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl)pyrrolidine-2,4-dione (CHEBI:221940) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
(2R)-3-(4-hydroxyphenyl)-2-[[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenoyl]amino]propanoic acid