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CHEBI:198874 - Ratjadone D

ChEBI IDCHEBI:198874
ChEBI NameRatjadone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESC/C=C/[C@@H]1O[C@H](C/C=C/C=C/C[C@H](/C=C(C)\C=C\[C@H]2CC=CC(=O)O2)CC)C[C@@H](O)[C@@H]1C
InChIInChI=1S/C28H40O4/c1-5-12-27-22(4)26(29)20-25(31-27)14-10-8-7-9-13-23(6-2)19-21(3)17-18-24-15-11-16-28(30)32-24/h5,7-12,16-19,22-27,29H,6,13-15,20H2,1-4H3/b9-7+,10-8+,12-5+,18-17+,21-19-/t22-,23+,24+,25+,26+,27-/m0/s1
InChIKeyJUGFGOUDVBOZAE-CHQFSNRWSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - DOI (10.1016/s0014-4827(03)00100-9)
ChEBI Ontology
Outgoing Relation(s)
Ratjadone D (CHEBI:198874) is a pyranone (CHEBI:37963)
IUPAC Name 
(2R)-2-[(1E,3Z,5R,7E,9E)-5-ethyl-11-[(2R,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
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78442464ChemSpider