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CHEBI:229018 - 5beta-Hydroxy-cis-dehydrocrotonin

ChEBI IDCHEBI:229018
ChEBI Name5beta-Hydroxy-cis-dehydrocrotonin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILES[H][C@]12CC(=O)C=C[C@@]1(O)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)OC1=O
InChIInChI=1S/C18H20O5/c1-11-2-5-17(21)6-3-13(19)8-15(17)18(11)9-14(23-16(18)20)12-4-7-22-10-12/h3-4,6-7,10-11,14-15,21H,2,5,8-9H2,1H3/t11-,14-,15+,17+,18-/m1/s1
InChIKeyGVAHPQGSIBNUKI-WUARAQQHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
5beta-Hydroxy-cis-dehydrocrotonin (CHEBI:229018) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4aS,5'R,7R,8R,8aR)-5'-(uran-3-yl)-4a-hydroxy-7-methylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2,2'-dione
Manual XrefsDatabases
4476802ChemSpider