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CHEBI:218274 - Tundrenone

ChEBI IDCHEBI:218274
ChEBI NameTundrenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESC=C(O[C@H]1[C@H](O)C=CC2=C(O)C(=O)C[C@H]21)C(=O)OCC(=C)C(O)C(=O)CCCCC
InChIInChI=1S/C22H28O8/c1-4-5-6-7-16(23)19(26)12(2)11-29-22(28)13(3)30-21-15-10-18(25)20(27)14(15)8-9-17(21)24/h8-9,15,17,19,21,24,26-27H,2-7,10-11H2,1H3/t15-,17-,19?,21-/m1/s1
InChIKeyQEUHGZGGGPRQOJ-BKXHWDAOSA-N
Species of MetaboliteComponentSourceComments
Methylobacter tundripaludum (ncbitaxon:173365) - PubMed (29361220)
ChEBI Ontology
Outgoing Relation(s)
Tundrenone (CHEBI:218274) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
(3-hydroxy-2-methylidene-4-oxononyl) 2-[[(3aR,4R,5R)-1,5-dihydroxy-2-oxo-3,3a,4,5-tetrahydroinden-4-yl]oxy]prop-2-enoate
Manual XrefsDatabases
78442792ChemSpider