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CHEBI:181513 - (2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

ChEBI IDCHEBI:181513
ChEBI Name(2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O10
Net Charge0
Average Mass442.461
Monoisotopic Mass442.18390
SMILESCC1=CC(=O)CC(C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(O)/C=C/C(C)=C/C(=O)O
InChIInChI=1S/C21H30O10/c1-11(6-15(24)25)4-5-21(29)12(2)7-13(23)8-20(21,3)10-30-19-18(28)17(27)16(26)14(9-22)31-19/h4-7,14,16-19,22,26-29H,8-10H2,1-3H3,(H,24,25)/b5-4+,11-6+/t14-,16-,17+,18-,19-,20?,21?/m1/s1
InChIKeyNDFUYJPVVCJYNZ-MVIFEUJBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid (CHEBI:181513) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
(2E,4E)-5-[1-hydroxy-2,6-dimethyl-4-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
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