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CHEBI:225497 - Gregatin G2

ChEBI IDCHEBI:225497
ChEBI NameGregatin G2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCCCC1=C(C(=O)OC)C(=O)[C@@](C)(/C=C/C=C/[C@H](C)O)O1
InChIInChI=1S/C16H22O5/c1-5-8-12-13(15(19)20-4)14(18)16(3,21-12)10-7-6-9-11(2)17/h6-7,9-11,17H,5,8H2,1-4H3/b9-6+,10-7+/t11-,16+/m0/s1
InChIKeyOLFTVRVPEUFOCA-ZMYVDAHDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (33314934)
ChEBI Ontology
Outgoing Relation(s)
Gregatin G2 (CHEBI:225497) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (5R)-5-[(1E,3E,5S)-5-hydroxyhexa-1,3-dienyl]-5-methyl-4-oxo-2-propyluran-3-carboxylate